USER MOD reduce.3.24.130724 H: found=0, std=0, add=1058, rem=0, adj=40 USER MOD reduce.3.24.130724 removed 1062 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 78 ASN : amide:sc= -1.19 X(o=-2.4,f=-2.5) USER MOD Set 1.2: B 78 ASN : amide:sc= -1.16 X(o=-2.4,f=-2.6) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 THR OG1 : rot -126:sc= 0.195 USER MOD Single : A 9 CYS SG : rot -50:sc= -2.03 USER MOD Single : A 12 SER OG : rot 84:sc= 1.18 USER MOD Single : A 18 GLN :FLIP amide:sc= -0.561 F(o=-1.4,f=-0.56) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 TYR OH : rot -30:sc= -1.08 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0472) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 39 MET CE :methyl 165:sc= -4.27 (180deg=-5.36!) USER MOD Single : A 40 ASN : amide:sc= 0.0338 X(o=0.034,f=0) USER MOD Single : A 41 THR OG1 : rot 180:sc= -0.452 USER MOD Single : A 47 THR OG1 : rot -39:sc= 0.494 USER MOD Single : A 59 MET CE :methyl -114:sc= -9.84! (180deg=-14.4!) USER MOD Single : A 60 MET CE :methyl 150:sc= -10.1! (180deg=-13.7!) USER MOD Single : A 70 GLN :FLIP amide:sc= -0.64 F(o=-4.8,f=-0.64) USER MOD Single : A 74 GLN :FLIP amide:sc= -5.23 F(o=-8.4!,f=-5.2) USER MOD Single : A 87 CYS SG : rot 155:sc= -0.826 USER MOD Single : A 88 HIS : no HD1:sc= -0.3 X(o=-0.3,f=-0.14) USER MOD Single : A 90 SER OG : rot -126:sc= 0.987 USER MOD Single : B 4 THR OG1 : rot 180:sc= 0 USER MOD Single : B 6 THR OG1 : rot -124:sc= 0.199 USER MOD Single : B 9 CYS SG : rot -43:sc= -2.06 USER MOD Single : B 12 SER OG : rot 86:sc= 1.16 USER MOD Single : B 18 GLN :FLIP amide:sc= -0.548 F(o=-1.4,f=-0.55) USER MOD Single : B 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 20 TYR OH : rot -30:sc= -1.1 USER MOD Single : B 29 THR OG1 : rot 180:sc= 0 USER MOD Single : B 31 SER OG : rot 180:sc= 0 USER MOD Single : B 32 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.046) USER MOD Single : B 33 THR OG1 : rot 180:sc= 0 USER MOD Single : B 37 SER OG : rot 180:sc= 0 USER MOD Single : B 39 MET CE :methyl 162:sc= -4.22 (180deg=-5.3!) USER MOD Single : B 40 ASN : amide:sc= 0.0318 X(o=0.032,f=0) USER MOD Single : B 41 THR OG1 : rot 180:sc= -0.448 USER MOD Single : B 47 THR OG1 : rot -38:sc= 0.499 USER MOD Single : B 59 MET CE :methyl -111:sc= -9.99! (180deg=-14.2!) USER MOD Single : B 60 MET CE :methyl 151:sc= -10.2! (180deg=-13.5!) USER MOD Single : B 70 GLN :FLIP amide:sc= -0.612 F(o=-4.8,f=-0.61) USER MOD Single : B 74 GLN :FLIP amide:sc= -5.34 F(o=-8.3!,f=-5.3) USER MOD Single : B 87 CYS SG : rot 154:sc= -0.842 USER MOD Single : B 88 HIS : no HD1:sc= -0.257 X(o=-0.26,f=-0.13) USER MOD Single : B 90 SER OG : rot -85:sc= 1 USER MOD ----------------------------------------------------------------- ATOM 51 N THR A 4 7.900 -4.587 15.421 1.00 0.00 N ATOM 52 CA THR A 4 8.379 -3.316 14.891 1.00 0.00 C ATOM 53 C THR A 4 7.233 -2.494 14.324 1.00 0.00 C ATOM 54 O THR A 4 6.269 -3.030 13.777 1.00 0.00 O ATOM 55 CB THR A 4 9.459 -3.542 13.824 1.00 0.00 C ATOM 56 OG1 THR A 4 9.578 -2.409 12.979 1.00 0.00 O ATOM 57 CG2 THR A 4 9.205 -4.747 12.942 1.00 0.00 C ATOM 0 HA THR A 4 8.822 -2.757 15.715 1.00 0.00 H new ATOM 0 HB THR A 4 10.376 -3.717 14.386 1.00 0.00 H new ATOM 0 HG1 THR A 4 10.273 -2.573 12.307 1.00 0.00 H new ATOM 0 HG21 THR A 4 10.010 -4.841 12.214 1.00 0.00 H new ATOM 0 HG22 THR A 4 9.165 -5.646 13.557 1.00 0.00 H new ATOM 0 HG23 THR A 4 8.256 -4.622 12.420 1.00 0.00 H new ATOM 65 N GLU A 5 7.352 -1.182 14.469 1.00 0.00 N ATOM 66 CA GLU A 5 6.343 -0.250 13.986 1.00 0.00 C ATOM 67 C GLU A 5 5.886 -0.619 12.578 1.00 0.00 C ATOM 68 O GLU A 5 4.689 -0.684 12.298 1.00 0.00 O ATOM 69 CB GLU A 5 6.920 1.160 14.007 1.00 0.00 C ATOM 70 CG GLU A 5 5.955 2.211 14.531 1.00 0.00 C ATOM 71 CD GLU A 5 6.648 3.279 15.354 1.00 0.00 C ATOM 72 OE1 GLU A 5 7.349 4.125 14.760 1.00 0.00 O ATOM 73 OE2 GLU A 5 6.489 3.270 16.594 1.00 0.00 O ATOM 0 H GLU A 5 8.148 -0.735 14.923 1.00 0.00 H new ATOM 0 HA GLU A 5 5.471 -0.299 14.638 1.00 0.00 H new ATOM 0 HB2 GLU A 5 7.818 1.166 14.624 1.00 0.00 H new ATOM 0 HB3 GLU A 5 7.226 1.432 12.997 1.00 0.00 H new ATOM 0 HG2 GLU A 5 5.443 2.680 13.691 1.00 0.00 H new ATOM 0 HG3 GLU A 5 5.191 1.727 15.140 1.00 0.00 H new ATOM 80 N THR A 6 6.849 -0.873 11.702 1.00 0.00 N ATOM 81 CA THR A 6 6.551 -1.253 10.328 1.00 0.00 C ATOM 82 C THR A 6 5.804 -2.582 10.299 1.00 0.00 C ATOM 83 O THR A 6 4.879 -2.772 9.513 1.00 0.00 O ATOM 84 CB THR A 6 7.842 -1.360 9.518 1.00 0.00 C ATOM 85 OG1 THR A 6 8.807 -0.434 9.985 1.00 0.00 O ATOM 86 CG2 THR A 6 7.643 -1.111 8.040 1.00 0.00 C ATOM 0 H THR A 6 7.844 -0.823 11.919 1.00 0.00 H new ATOM 0 HA THR A 6 5.919 -0.484 9.883 1.00 0.00 H new ATOM 0 HB THR A 6 8.183 -2.386 9.654 1.00 0.00 H new ATOM 0 HG1 THR A 6 9.119 0.118 9.238 1.00 0.00 H new ATOM 0 HG21 THR A 6 8.599 -1.202 7.524 1.00 0.00 H new ATOM 0 HG22 THR A 6 6.942 -1.843 7.639 1.00 0.00 H new ATOM 0 HG23 THR A 6 7.244 -0.108 7.891 1.00 0.00 H new ATOM 94 N GLU A 7 6.207 -3.500 11.169 1.00 0.00 N ATOM 95 CA GLU A 7 5.572 -4.812 11.244 1.00 0.00 C ATOM 96 C GLU A 7 4.059 -4.673 11.388 1.00 0.00 C ATOM 97 O GLU A 7 3.296 -5.487 10.867 1.00 0.00 O ATOM 98 CB GLU A 7 6.137 -5.613 12.423 1.00 0.00 C ATOM 99 CG GLU A 7 6.944 -6.829 11.998 1.00 0.00 C ATOM 100 CD GLU A 7 6.094 -8.077 11.870 1.00 0.00 C ATOM 101 OE1 GLU A 7 5.737 -8.663 12.914 1.00 0.00 O ATOM 102 OE2 GLU A 7 5.786 -8.470 10.725 1.00 0.00 O ATOM 0 H GLU A 7 6.970 -3.361 11.832 1.00 0.00 H new ATOM 0 HA GLU A 7 5.786 -5.345 10.318 1.00 0.00 H new ATOM 0 HB2 GLU A 7 6.768 -4.960 13.026 1.00 0.00 H new ATOM 0 HB3 GLU A 7 5.314 -5.937 13.060 1.00 0.00 H new ATOM 0 HG2 GLU A 7 7.428 -6.624 11.043 1.00 0.00 H new ATOM 0 HG3 GLU A 7 7.737 -7.007 12.725 1.00 0.00 H new ATOM 109 N ARG A 8 3.633 -3.631 12.093 1.00 0.00 N ATOM 110 CA ARG A 8 2.213 -3.378 12.302 1.00 0.00 C ATOM 111 C ARG A 8 1.587 -2.721 11.073 1.00 0.00 C ATOM 112 O ARG A 8 0.459 -3.035 10.698 1.00 0.00 O ATOM 113 CB ARG A 8 2.009 -2.490 13.533 1.00 0.00 C ATOM 114 CG ARG A 8 1.410 -3.226 14.719 1.00 0.00 C ATOM 115 CD ARG A 8 0.003 -3.715 14.416 1.00 0.00 C ATOM 116 NE ARG A 8 -0.701 -4.142 15.623 1.00 0.00 N ATOM 117 CZ ARG A 8 -1.270 -3.303 16.486 1.00 0.00 C ATOM 118 NH1 ARG A 8 -1.221 -1.992 16.278 1.00 0.00 N ATOM 119 NH2 ARG A 8 -1.889 -3.774 17.559 1.00 0.00 N ATOM 0 H ARG A 8 4.252 -2.948 12.530 1.00 0.00 H new ATOM 0 HA ARG A 8 1.719 -4.336 12.467 1.00 0.00 H new ATOM 0 HB2 ARG A 8 2.968 -2.064 13.827 1.00 0.00 H new ATOM 0 HB3 ARG A 8 1.359 -1.657 13.266 1.00 0.00 H new ATOM 0 HG2 ARG A 8 2.043 -4.074 14.980 1.00 0.00 H new ATOM 0 HG3 ARG A 8 1.388 -2.565 15.586 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -0.561 -2.918 13.930 1.00 0.00 H new ATOM 0 HD3 ARG A 8 0.052 -4.546 13.712 1.00 0.00 H new ATOM 0 HE ARG A 8 -0.760 -5.142 15.816 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -0.746 -1.624 15.454 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -1.659 -1.354 16.942 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -1.930 -4.780 17.724 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -2.325 -3.131 18.220 1.00 0.00 H new ATOM 132 N CYS A 9 2.324 -1.799 10.458 1.00 0.00 N ATOM 133 CA CYS A 9 1.838 -1.091 9.279 1.00 0.00 C ATOM 134 C CYS A 9 1.496 -2.060 8.147 1.00 0.00 C ATOM 135 O CYS A 9 0.477 -1.907 7.476 1.00 0.00 O ATOM 136 CB CYS A 9 2.871 -0.050 8.816 1.00 0.00 C ATOM 137 SG CYS A 9 4.199 -0.690 7.766 1.00 0.00 S ATOM 0 H CYS A 9 3.260 -1.526 10.758 1.00 0.00 H new ATOM 0 HA CYS A 9 0.920 -0.571 9.553 1.00 0.00 H new ATOM 0 HB2 CYS A 9 2.349 0.738 8.273 1.00 0.00 H new ATOM 0 HB3 CYS A 9 3.317 0.411 9.697 1.00 0.00 H new ATOM 0 HG CYS A 9 4.731 -1.734 8.328 1.00 0.00 H new ATOM 143 N ILE A 10 2.352 -3.053 7.940 1.00 0.00 N ATOM 144 CA ILE A 10 2.141 -4.036 6.889 1.00 0.00 C ATOM 145 C ILE A 10 0.931 -4.921 7.172 1.00 0.00 C ATOM 146 O ILE A 10 0.025 -5.026 6.350 1.00 0.00 O ATOM 147 CB ILE A 10 3.381 -4.938 6.716 1.00 0.00 C ATOM 148 CG1 ILE A 10 4.622 -4.094 6.439 1.00 0.00 C ATOM 149 CG2 ILE A 10 3.162 -5.940 5.594 1.00 0.00 C ATOM 150 CD1 ILE A 10 5.706 -4.257 7.477 1.00 0.00 C ATOM 0 H ILE A 10 3.200 -3.198 8.488 1.00 0.00 H new ATOM 0 HA ILE A 10 1.962 -3.473 5.973 1.00 0.00 H new ATOM 0 HB ILE A 10 3.536 -5.488 7.644 1.00 0.00 H new ATOM 0 HG12 ILE A 10 5.023 -4.362 5.461 1.00 0.00 H new ATOM 0 HG13 ILE A 10 4.334 -3.044 6.388 1.00 0.00 H new ATOM 0 HG21 ILE A 10 4.048 -6.567 5.488 1.00 0.00 H new ATOM 0 HG22 ILE A 10 2.301 -6.566 5.828 1.00 0.00 H new ATOM 0 HG23 ILE A 10 2.981 -5.407 4.661 1.00 0.00 H new ATOM 0 HD11 ILE A 10 6.557 -3.628 7.216 1.00 0.00 H new ATOM 0 HD12 ILE A 10 5.322 -3.961 8.453 1.00 0.00 H new ATOM 0 HD13 ILE A 10 6.022 -5.299 7.512 1.00 0.00 H new ATOM 162 N GLU A 11 0.935 -5.572 8.329 1.00 0.00 N ATOM 163 CA GLU A 11 -0.148 -6.475 8.706 1.00 0.00 C ATOM 164 C GLU A 11 -1.518 -5.818 8.579 1.00 0.00 C ATOM 165 O GLU A 11 -2.522 -6.501 8.376 1.00 0.00 O ATOM 166 CB GLU A 11 0.058 -6.986 10.133 1.00 0.00 C ATOM 167 CG GLU A 11 -0.040 -8.499 10.248 1.00 0.00 C ATOM 168 CD GLU A 11 -0.972 -8.943 11.358 1.00 0.00 C ATOM 169 OE1 GLU A 11 -0.543 -8.934 12.531 1.00 0.00 O ATOM 170 OE2 GLU A 11 -2.129 -9.300 11.054 1.00 0.00 O ATOM 0 H GLU A 11 1.677 -5.492 9.024 1.00 0.00 H new ATOM 0 HA GLU A 11 -0.122 -7.315 8.012 1.00 0.00 H new ATOM 0 HB2 GLU A 11 1.036 -6.664 10.490 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -0.686 -6.530 10.786 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -0.389 -8.909 9.300 1.00 0.00 H new ATOM 0 HG3 GLU A 11 0.953 -8.911 10.427 1.00 0.00 H new ATOM 177 N SER A 12 -1.565 -4.501 8.714 1.00 0.00 N ATOM 178 CA SER A 12 -2.829 -3.781 8.626 1.00 0.00 C ATOM 179 C SER A 12 -3.371 -3.741 7.193 1.00 0.00 C ATOM 180 O SER A 12 -4.505 -4.144 6.947 1.00 0.00 O ATOM 181 CB SER A 12 -2.661 -2.360 9.163 1.00 0.00 C ATOM 182 OG SER A 12 -1.891 -2.352 10.353 1.00 0.00 O ATOM 0 H SER A 12 -0.750 -3.912 8.884 1.00 0.00 H new ATOM 0 HA SER A 12 -3.555 -4.319 9.235 1.00 0.00 H new ATOM 0 HB2 SER A 12 -2.178 -1.738 8.409 1.00 0.00 H new ATOM 0 HB3 SER A 12 -3.641 -1.923 9.357 1.00 0.00 H new ATOM 0 HG SER A 12 -0.938 -2.355 10.126 1.00 0.00 H new ATOM 188 N LEU A 13 -2.568 -3.236 6.256 1.00 0.00 N ATOM 189 CA LEU A 13 -2.989 -3.125 4.860 1.00 0.00 C ATOM 190 C LEU A 13 -3.259 -4.486 4.212 1.00 0.00 C ATOM 191 O LEU A 13 -4.074 -4.600 3.297 1.00 0.00 O ATOM 192 CB LEU A 13 -1.932 -2.363 4.073 1.00 0.00 C ATOM 193 CG LEU A 13 -2.176 -0.859 3.971 1.00 0.00 C ATOM 194 CD1 LEU A 13 -3.486 -0.584 3.260 1.00 0.00 C ATOM 195 CD2 LEU A 13 -2.186 -0.209 5.344 1.00 0.00 C ATOM 0 H LEU A 13 -1.623 -2.898 6.439 1.00 0.00 H new ATOM 0 HA LEU A 13 -3.933 -2.581 4.843 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -0.961 -2.529 4.539 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -1.878 -2.778 3.067 1.00 0.00 H new ATOM 0 HG LEU A 13 -1.358 -0.427 3.394 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -3.646 0.492 3.195 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -3.451 -1.007 2.256 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -4.305 -1.039 3.817 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -2.362 0.862 5.238 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -2.979 -0.649 5.949 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -1.225 -0.372 5.831 1.00 0.00 H new ATOM 207 N ILE A 14 -2.586 -5.520 4.679 1.00 0.00 N ATOM 208 CA ILE A 14 -2.786 -6.847 4.137 1.00 0.00 C ATOM 209 C ILE A 14 -4.136 -7.385 4.534 1.00 0.00 C ATOM 210 O ILE A 14 -4.783 -8.108 3.787 1.00 0.00 O ATOM 211 CB ILE A 14 -1.767 -7.834 4.694 1.00 0.00 C ATOM 212 CG1 ILE A 14 -0.363 -7.276 4.647 1.00 0.00 C ATOM 213 CG2 ILE A 14 -1.848 -9.139 3.951 1.00 0.00 C ATOM 214 CD1 ILE A 14 0.496 -7.853 5.736 1.00 0.00 C ATOM 0 H ILE A 14 -1.898 -5.466 5.430 1.00 0.00 H new ATOM 0 HA ILE A 14 -2.690 -6.752 3.055 1.00 0.00 H new ATOM 0 HB ILE A 14 -2.010 -8.009 5.742 1.00 0.00 H new ATOM 0 HG12 ILE A 14 0.083 -7.493 3.677 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -0.398 -6.191 4.746 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -1.115 -9.836 4.358 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -2.848 -9.559 4.061 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -1.640 -8.970 2.895 1.00 0.00 H new ATOM 0 HD11 ILE A 14 1.498 -7.429 5.672 1.00 0.00 H new ATOM 0 HD12 ILE A 14 0.062 -7.613 6.707 1.00 0.00 H new ATOM 0 HD13 ILE A 14 0.551 -8.935 5.621 1.00 0.00 H new ATOM 226 N ALA A 15 -4.513 -7.056 5.750 1.00 0.00 N ATOM 227 CA ALA A 15 -5.742 -7.532 6.334 1.00 0.00 C ATOM 228 C ALA A 15 -6.958 -6.800 5.793 1.00 0.00 C ATOM 229 O ALA A 15 -8.018 -7.401 5.620 1.00 0.00 O ATOM 230 CB ALA A 15 -5.611 -7.430 7.833 1.00 0.00 C ATOM 0 H ALA A 15 -3.971 -6.447 6.363 1.00 0.00 H new ATOM 0 HA ALA A 15 -5.906 -8.574 6.059 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -6.528 -7.784 8.303 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -4.773 -8.041 8.167 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -5.437 -6.391 8.113 1.00 0.00 H new ATOM 236 N VAL A 16 -6.799 -5.520 5.470 1.00 0.00 N ATOM 237 CA VAL A 16 -7.890 -4.763 4.890 1.00 0.00 C ATOM 238 C VAL A 16 -8.403 -5.530 3.681 1.00 0.00 C ATOM 239 O VAL A 16 -9.605 -5.611 3.425 1.00 0.00 O ATOM 240 CB VAL A 16 -7.415 -3.374 4.437 1.00 0.00 C ATOM 241 CG1 VAL A 16 -6.812 -2.605 5.591 1.00 0.00 C ATOM 242 CG2 VAL A 16 -6.400 -3.514 3.326 1.00 0.00 C ATOM 0 H VAL A 16 -5.934 -4.995 5.600 1.00 0.00 H new ATOM 0 HA VAL A 16 -8.674 -4.630 5.636 1.00 0.00 H new ATOM 0 HB VAL A 16 -8.279 -2.820 4.070 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -6.484 -1.625 5.243 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -7.559 -2.480 6.375 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -5.958 -3.154 5.987 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -6.068 -2.525 3.010 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -5.545 -4.087 3.685 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -6.854 -4.031 2.481 1.00 0.00 H new ATOM 252 N PHE A 17 -7.447 -6.107 2.954 1.00 0.00 N ATOM 253 CA PHE A 17 -7.740 -6.902 1.767 1.00 0.00 C ATOM 254 C PHE A 17 -8.296 -8.275 2.163 1.00 0.00 C ATOM 255 O PHE A 17 -9.396 -8.644 1.756 1.00 0.00 O ATOM 256 CB PHE A 17 -6.465 -7.048 0.922 1.00 0.00 C ATOM 257 CG PHE A 17 -6.453 -8.237 -0.001 1.00 0.00 C ATOM 258 CD1 PHE A 17 -6.068 -9.484 0.462 1.00 0.00 C ATOM 259 CD2 PHE A 17 -6.816 -8.103 -1.331 1.00 0.00 C ATOM 260 CE1 PHE A 17 -6.046 -10.577 -0.385 1.00 0.00 C ATOM 261 CE2 PHE A 17 -6.797 -9.192 -2.182 1.00 0.00 C ATOM 262 CZ PHE A 17 -6.412 -10.431 -1.708 1.00 0.00 C ATOM 0 H PHE A 17 -6.453 -6.036 3.172 1.00 0.00 H new ATOM 0 HA PHE A 17 -8.500 -6.395 1.173 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -6.334 -6.143 0.328 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -5.608 -7.117 1.592 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -5.782 -9.604 1.496 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -7.117 -7.137 -1.707 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -5.743 -11.544 -0.012 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -7.083 -9.074 -3.217 1.00 0.00 H new ATOM 0 HZ PHE A 17 -6.397 -11.283 -2.371 1.00 0.00 H new ATOM 272 N GLN A 18 -7.525 -9.025 2.952 1.00 0.00 N ATOM 273 CA GLN A 18 -7.935 -10.362 3.393 1.00 0.00 C ATOM 274 C GLN A 18 -9.352 -10.377 3.950 1.00 0.00 C ATOM 275 O GLN A 18 -10.042 -11.392 3.867 1.00 0.00 O ATOM 276 CB GLN A 18 -6.988 -10.892 4.475 1.00 0.00 C ATOM 277 CG GLN A 18 -5.519 -10.657 4.185 1.00 0.00 C ATOM 278 CD GLN A 18 -4.891 -11.797 3.423 1.00 0.00 C ATOM 279 OE1 GLN A 18 -5.408 -12.045 2.229 1.00 0.00 O flip ATOM 280 NE2 GLN A 18 -3.957 -12.444 3.897 1.00 0.00 N flip ATOM 0 H GLN A 18 -6.612 -8.730 3.300 1.00 0.00 H new ATOM 0 HA GLN A 18 -7.897 -10.999 2.509 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -7.239 -10.420 5.425 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -7.156 -11.962 4.597 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -5.408 -9.736 3.612 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -4.985 -10.514 5.124 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -3.594 -12.213 4.822 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -3.546 -13.211 3.365 1.00 0.00 H new ATOM 289 N LYS A 19 -9.784 -9.268 4.540 1.00 0.00 N ATOM 290 CA LYS A 19 -11.119 -9.211 5.120 1.00 0.00 C ATOM 291 C LYS A 19 -12.186 -9.527 4.077 1.00 0.00 C ATOM 292 O LYS A 19 -13.017 -10.413 4.279 1.00 0.00 O ATOM 293 CB LYS A 19 -11.372 -7.827 5.721 1.00 0.00 C ATOM 294 CG LYS A 19 -12.410 -7.824 6.831 1.00 0.00 C ATOM 295 CD LYS A 19 -12.048 -8.802 7.937 1.00 0.00 C ATOM 296 CE LYS A 19 -12.916 -10.049 7.887 1.00 0.00 C ATOM 297 NZ LYS A 19 -12.582 -11.003 8.979 1.00 0.00 N ATOM 0 H LYS A 19 -9.239 -8.410 4.628 1.00 0.00 H new ATOM 0 HA LYS A 19 -11.178 -9.963 5.907 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -10.434 -7.433 6.112 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -11.697 -7.151 4.930 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -12.497 -6.820 7.246 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -13.385 -8.084 6.419 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -10.999 -9.084 7.845 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -12.164 -8.316 8.906 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -13.965 -9.764 7.963 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -12.788 -10.542 6.923 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -13.196 -11.839 8.909 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -11.588 -11.295 8.892 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -12.728 -10.542 9.900 1.00 0.00 H new ATOM 311 N TYR A 20 -12.139 -8.829 2.947 1.00 0.00 N ATOM 312 CA TYR A 20 -13.083 -9.073 1.867 1.00 0.00 C ATOM 313 C TYR A 20 -12.633 -10.272 1.050 1.00 0.00 C ATOM 314 O TYR A 20 -13.410 -11.175 0.742 1.00 0.00 O ATOM 315 CB TYR A 20 -13.229 -7.837 0.980 1.00 0.00 C ATOM 316 CG TYR A 20 -14.261 -6.856 1.491 1.00 0.00 C ATOM 317 CD1 TYR A 20 -13.995 -6.043 2.585 1.00 0.00 C ATOM 318 CD2 TYR A 20 -15.506 -6.749 0.881 1.00 0.00 C ATOM 319 CE1 TYR A 20 -14.939 -5.150 3.057 1.00 0.00 C ATOM 320 CE2 TYR A 20 -16.453 -5.857 1.347 1.00 0.00 C ATOM 321 CZ TYR A 20 -16.166 -5.061 2.434 1.00 0.00 C ATOM 322 OH TYR A 20 -17.109 -4.175 2.901 1.00 0.00 O ATOM 0 H TYR A 20 -11.459 -8.093 2.757 1.00 0.00 H new ATOM 0 HA TYR A 20 -14.060 -9.288 2.299 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -12.265 -7.335 0.906 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -13.503 -8.151 -0.027 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -13.035 -6.109 3.075 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -15.736 -7.373 0.030 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -14.717 -4.525 3.909 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -17.415 -5.784 0.861 1.00 0.00 H new ATOM 0 HH TYR A 20 -16.995 -4.054 3.867 1.00 0.00 H new ATOM 332 N ALA A 21 -11.353 -10.247 0.705 1.00 0.00 N ATOM 333 CA ALA A 21 -10.726 -11.293 -0.084 1.00 0.00 C ATOM 334 C ALA A 21 -10.876 -12.662 0.575 1.00 0.00 C ATOM 335 O ALA A 21 -10.839 -13.692 -0.099 1.00 0.00 O ATOM 336 CB ALA A 21 -9.258 -10.946 -0.276 1.00 0.00 C ATOM 0 H ALA A 21 -10.718 -9.494 0.968 1.00 0.00 H new ATOM 0 HA ALA A 21 -11.223 -11.352 -1.052 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -8.775 -11.724 -0.867 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -9.175 -9.991 -0.795 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -8.771 -10.874 0.696 1.00 0.00 H new ATOM 342 N GLY A 22 -11.044 -12.668 1.892 1.00 0.00 N ATOM 343 CA GLY A 22 -11.194 -13.917 2.616 1.00 0.00 C ATOM 344 C GLY A 22 -9.889 -14.392 3.222 1.00 0.00 C ATOM 345 O GLY A 22 -8.811 -13.996 2.779 1.00 0.00 O ATOM 0 H GLY A 22 -11.079 -11.830 2.472 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -11.934 -13.789 3.406 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -11.578 -14.682 1.941 1.00 0.00 H new ATOM 419 N VAL A 28 -6.233 -15.474 -2.719 1.00 0.00 N ATOM 420 CA VAL A 28 -5.162 -14.827 -3.467 1.00 0.00 C ATOM 421 C VAL A 28 -5.632 -13.521 -4.105 1.00 0.00 C ATOM 422 O VAL A 28 -4.817 -12.687 -4.497 1.00 0.00 O ATOM 423 CB VAL A 28 -4.610 -15.749 -4.569 1.00 0.00 C ATOM 424 CG1 VAL A 28 -3.825 -16.901 -3.961 1.00 0.00 C ATOM 425 CG2 VAL A 28 -5.740 -16.268 -5.446 1.00 0.00 C ATOM 0 HA VAL A 28 -4.371 -14.610 -2.749 1.00 0.00 H new ATOM 0 HB VAL A 28 -3.931 -15.169 -5.195 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -3.443 -17.541 -4.756 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -2.991 -16.507 -3.381 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -4.478 -17.482 -3.309 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -5.331 -16.918 -6.219 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -6.446 -16.831 -4.835 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -6.254 -15.428 -5.913 1.00 0.00 H new ATOM 435 N THR A 29 -6.947 -13.350 -4.210 1.00 0.00 N ATOM 436 CA THR A 29 -7.508 -12.145 -4.806 1.00 0.00 C ATOM 437 C THR A 29 -8.729 -11.664 -4.029 1.00 0.00 C ATOM 438 O THR A 29 -9.141 -12.280 -3.046 1.00 0.00 O ATOM 439 CB THR A 29 -7.886 -12.400 -6.264 1.00 0.00 C ATOM 440 OG1 THR A 29 -8.600 -13.616 -6.394 1.00 0.00 O ATOM 441 CG2 THR A 29 -6.690 -12.466 -7.189 1.00 0.00 C ATOM 0 H THR A 29 -7.640 -14.028 -3.891 1.00 0.00 H new ATOM 0 HA THR A 29 -6.747 -11.366 -4.765 1.00 0.00 H new ATOM 0 HB THR A 29 -8.503 -11.550 -6.555 1.00 0.00 H new ATOM 0 HG1 THR A 29 -8.834 -13.759 -7.335 1.00 0.00 H new ATOM 0 HG21 THR A 29 -7.028 -12.649 -8.209 1.00 0.00 H new ATOM 0 HG22 THR A 29 -6.148 -11.521 -7.151 1.00 0.00 H new ATOM 0 HG23 THR A 29 -6.031 -13.275 -6.874 1.00 0.00 H new ATOM 449 N LEU A 30 -9.296 -10.553 -4.482 1.00 0.00 N ATOM 450 CA LEU A 30 -10.468 -9.965 -3.846 1.00 0.00 C ATOM 451 C LEU A 30 -11.591 -9.782 -4.881 1.00 0.00 C ATOM 452 O LEU A 30 -12.091 -10.763 -5.431 1.00 0.00 O ATOM 453 CB LEU A 30 -10.068 -8.632 -3.188 1.00 0.00 C ATOM 454 CG LEU A 30 -10.772 -8.308 -1.871 1.00 0.00 C ATOM 455 CD1 LEU A 30 -10.059 -7.172 -1.152 1.00 0.00 C ATOM 456 CD2 LEU A 30 -12.230 -7.953 -2.112 1.00 0.00 C ATOM 0 H LEU A 30 -8.959 -10.037 -5.295 1.00 0.00 H new ATOM 0 HA LEU A 30 -10.849 -10.628 -3.069 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -8.993 -8.643 -3.011 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -10.267 -7.825 -3.893 1.00 0.00 H new ATOM 0 HG LEU A 30 -10.737 -9.195 -1.238 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -10.573 -6.954 -0.216 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -9.030 -7.464 -0.941 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -10.062 -6.283 -1.783 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -12.711 -7.726 -1.161 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -12.289 -7.083 -2.765 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -12.737 -8.795 -2.583 1.00 0.00 H new ATOM 468 N SER A 31 -11.968 -8.533 -5.161 1.00 0.00 N ATOM 469 CA SER A 31 -13.004 -8.230 -6.140 1.00 0.00 C ATOM 470 C SER A 31 -13.273 -6.734 -6.161 1.00 0.00 C ATOM 471 O SER A 31 -13.488 -6.117 -5.118 1.00 0.00 O ATOM 472 CB SER A 31 -14.293 -8.992 -5.830 1.00 0.00 C ATOM 473 OG SER A 31 -15.294 -8.716 -6.794 1.00 0.00 O ATOM 0 H SER A 31 -11.564 -7.709 -4.716 1.00 0.00 H new ATOM 0 HA SER A 31 -12.652 -8.547 -7.122 1.00 0.00 H new ATOM 0 HB2 SER A 31 -14.090 -10.063 -5.809 1.00 0.00 H new ATOM 0 HB3 SER A 31 -14.653 -8.716 -4.839 1.00 0.00 H new ATOM 0 HG SER A 31 -16.107 -9.217 -6.574 1.00 0.00 H new ATOM 479 N LYS A 32 -13.251 -6.148 -7.353 1.00 0.00 N ATOM 480 CA LYS A 32 -13.484 -4.717 -7.503 1.00 0.00 C ATOM 481 C LYS A 32 -14.744 -4.286 -6.758 1.00 0.00 C ATOM 482 O LYS A 32 -14.803 -3.193 -6.195 1.00 0.00 O ATOM 483 CB LYS A 32 -13.605 -4.352 -8.985 1.00 0.00 C ATOM 484 CG LYS A 32 -14.402 -5.360 -9.798 1.00 0.00 C ATOM 485 CD LYS A 32 -13.499 -6.194 -10.693 1.00 0.00 C ATOM 486 CE LYS A 32 -12.988 -5.388 -11.875 1.00 0.00 C ATOM 487 NZ LYS A 32 -14.045 -5.178 -12.903 1.00 0.00 N ATOM 0 H LYS A 32 -13.074 -6.641 -8.228 1.00 0.00 H new ATOM 0 HA LYS A 32 -12.633 -4.190 -7.072 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -14.077 -3.373 -9.072 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -12.606 -4.263 -9.411 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -14.955 -6.016 -9.125 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -15.138 -4.836 -10.409 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -12.655 -6.567 -10.113 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -14.047 -7.064 -11.054 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -12.625 -4.422 -11.525 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -12.140 -5.903 -12.326 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -13.625 -4.744 -13.750 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -14.469 -6.093 -13.157 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -14.781 -4.550 -12.521 1.00 0.00 H new ATOM 501 N THR A 33 -15.748 -5.157 -6.755 1.00 0.00 N ATOM 502 CA THR A 33 -17.002 -4.875 -6.080 1.00 0.00 C ATOM 503 C THR A 33 -16.842 -4.987 -4.565 1.00 0.00 C ATOM 504 O THR A 33 -17.325 -4.140 -3.821 1.00 0.00 O ATOM 505 CB THR A 33 -18.090 -5.832 -6.581 1.00 0.00 C ATOM 506 OG1 THR A 33 -18.755 -5.286 -7.707 1.00 0.00 O ATOM 507 CG2 THR A 33 -19.138 -6.153 -5.543 1.00 0.00 C ATOM 0 H THR A 33 -15.713 -6.066 -7.215 1.00 0.00 H new ATOM 0 HA THR A 33 -17.299 -3.852 -6.310 1.00 0.00 H new ATOM 0 HB THR A 33 -17.565 -6.753 -6.835 1.00 0.00 H new ATOM 0 HG1 THR A 33 -19.445 -5.911 -8.014 1.00 0.00 H new ATOM 0 HG21 THR A 33 -19.874 -6.835 -5.968 1.00 0.00 H new ATOM 0 HG22 THR A 33 -18.664 -6.622 -4.681 1.00 0.00 H new ATOM 0 HG23 THR A 33 -19.633 -5.234 -5.229 1.00 0.00 H new ATOM 515 N GLU A 34 -16.160 -6.030 -4.103 1.00 0.00 N ATOM 516 CA GLU A 34 -15.954 -6.207 -2.670 1.00 0.00 C ATOM 517 C GLU A 34 -15.231 -4.998 -2.092 1.00 0.00 C ATOM 518 O GLU A 34 -15.413 -4.646 -0.926 1.00 0.00 O ATOM 519 CB GLU A 34 -15.170 -7.485 -2.383 1.00 0.00 C ATOM 520 CG GLU A 34 -16.062 -8.673 -2.061 1.00 0.00 C ATOM 521 CD GLU A 34 -15.877 -9.825 -3.029 1.00 0.00 C ATOM 522 OE1 GLU A 34 -14.722 -10.267 -3.214 1.00 0.00 O ATOM 523 OE2 GLU A 34 -16.886 -10.286 -3.604 1.00 0.00 O ATOM 0 H GLU A 34 -15.746 -6.755 -4.689 1.00 0.00 H new ATOM 0 HA GLU A 34 -16.930 -6.297 -2.192 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -14.552 -7.727 -3.248 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -14.494 -7.309 -1.547 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -15.850 -9.017 -1.049 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -17.104 -8.354 -2.077 1.00 0.00 H new ATOM 530 N PHE A 35 -14.424 -4.353 -2.929 1.00 0.00 N ATOM 531 CA PHE A 35 -13.687 -3.166 -2.519 1.00 0.00 C ATOM 532 C PHE A 35 -14.648 -1.997 -2.331 1.00 0.00 C ATOM 533 O PHE A 35 -14.396 -1.092 -1.537 1.00 0.00 O ATOM 534 CB PHE A 35 -12.630 -2.812 -3.567 1.00 0.00 C ATOM 535 CG PHE A 35 -11.590 -1.851 -3.068 1.00 0.00 C ATOM 536 CD1 PHE A 35 -10.738 -2.211 -2.037 1.00 0.00 C ATOM 537 CD2 PHE A 35 -11.465 -0.591 -3.629 1.00 0.00 C ATOM 538 CE1 PHE A 35 -9.779 -1.330 -1.574 1.00 0.00 C ATOM 539 CE2 PHE A 35 -10.507 0.294 -3.170 1.00 0.00 C ATOM 540 CZ PHE A 35 -9.664 -0.075 -2.141 1.00 0.00 C ATOM 0 H PHE A 35 -14.265 -4.634 -3.896 1.00 0.00 H new ATOM 0 HA PHE A 35 -13.187 -3.371 -1.572 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -12.139 -3.727 -3.899 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -13.124 -2.381 -4.438 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -10.824 -3.190 -1.590 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -12.123 -0.297 -4.433 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -9.120 -1.622 -0.770 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -10.418 1.273 -3.616 1.00 0.00 H new ATOM 0 HZ PHE A 35 -8.916 0.616 -1.780 1.00 0.00 H new ATOM 550 N LEU A 36 -15.756 -2.033 -3.068 1.00 0.00 N ATOM 551 CA LEU A 36 -16.770 -0.991 -2.991 1.00 0.00 C ATOM 552 C LEU A 36 -17.271 -0.823 -1.577 1.00 0.00 C ATOM 553 O LEU A 36 -17.205 0.258 -0.992 1.00 0.00 O ATOM 554 CB LEU A 36 -17.965 -1.361 -3.866 1.00 0.00 C ATOM 555 CG LEU A 36 -17.965 -0.733 -5.238 1.00 0.00 C ATOM 556 CD1 LEU A 36 -18.052 0.776 -5.105 1.00 0.00 C ATOM 557 CD2 LEU A 36 -16.721 -1.155 -5.999 1.00 0.00 C ATOM 0 H LEU A 36 -15.973 -2.779 -3.729 1.00 0.00 H new ATOM 0 HA LEU A 36 -16.311 -0.063 -3.332 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -17.993 -2.445 -3.978 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -18.879 -1.070 -3.349 1.00 0.00 H new ATOM 0 HG LEU A 36 -18.833 -1.075 -5.802 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -18.052 1.229 -6.096 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -18.971 1.043 -4.584 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -17.195 1.141 -4.539 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -16.727 -0.698 -6.989 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -15.834 -0.830 -5.455 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -16.707 -2.240 -6.100 1.00 0.00 H new ATOM 569 N SER A 37 -17.802 -1.910 -1.054 1.00 0.00 N ATOM 570 CA SER A 37 -18.360 -1.911 0.282 1.00 0.00 C ATOM 571 C SER A 37 -17.336 -1.450 1.315 1.00 0.00 C ATOM 572 O SER A 37 -17.650 -0.653 2.197 1.00 0.00 O ATOM 573 CB SER A 37 -18.882 -3.304 0.644 1.00 0.00 C ATOM 574 OG SER A 37 -20.212 -3.483 0.189 1.00 0.00 O ATOM 0 H SER A 37 -17.859 -2.807 -1.537 1.00 0.00 H new ATOM 0 HA SER A 37 -19.191 -1.206 0.293 1.00 0.00 H new ATOM 0 HB2 SER A 37 -18.237 -4.064 0.202 1.00 0.00 H new ATOM 0 HB3 SER A 37 -18.842 -3.442 1.725 1.00 0.00 H new ATOM 0 HG SER A 37 -20.522 -4.381 0.431 1.00 0.00 H new ATOM 580 N PHE A 38 -16.108 -1.953 1.199 1.00 0.00 N ATOM 581 CA PHE A 38 -15.043 -1.588 2.128 1.00 0.00 C ATOM 582 C PHE A 38 -14.825 -0.078 2.134 1.00 0.00 C ATOM 583 O PHE A 38 -14.413 0.496 3.143 1.00 0.00 O ATOM 584 CB PHE A 38 -13.739 -2.296 1.756 1.00 0.00 C ATOM 585 CG PHE A 38 -12.649 -2.115 2.774 1.00 0.00 C ATOM 586 CD1 PHE A 38 -12.044 -0.880 2.949 1.00 0.00 C ATOM 587 CD2 PHE A 38 -12.233 -3.177 3.561 1.00 0.00 C ATOM 588 CE1 PHE A 38 -11.043 -0.710 3.887 1.00 0.00 C ATOM 589 CE2 PHE A 38 -11.234 -3.013 4.501 1.00 0.00 C ATOM 590 CZ PHE A 38 -10.638 -1.778 4.664 1.00 0.00 C ATOM 0 H PHE A 38 -15.828 -2.612 0.473 1.00 0.00 H new ATOM 0 HA PHE A 38 -15.346 -1.904 3.126 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -13.936 -3.361 1.631 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -13.392 -1.920 0.793 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -12.358 -0.041 2.346 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -12.696 -4.145 3.438 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -10.578 0.257 4.012 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -10.920 -3.849 5.108 1.00 0.00 H new ATOM 0 HZ PHE A 38 -9.856 -1.647 5.398 1.00 0.00 H new ATOM 600 N MET A 39 -15.108 0.559 1.004 1.00 0.00 N ATOM 601 CA MET A 39 -14.947 2.001 0.878 1.00 0.00 C ATOM 602 C MET A 39 -16.088 2.736 1.577 1.00 0.00 C ATOM 603 O MET A 39 -15.879 3.747 2.238 1.00 0.00 O ATOM 604 CB MET A 39 -14.898 2.400 -0.599 1.00 0.00 C ATOM 605 CG MET A 39 -14.055 3.635 -0.874 1.00 0.00 C ATOM 606 SD MET A 39 -12.454 3.239 -1.603 1.00 0.00 S ATOM 607 CE MET A 39 -11.576 2.617 -0.173 1.00 0.00 C ATOM 0 H MET A 39 -15.451 0.098 0.161 1.00 0.00 H new ATOM 0 HA MET A 39 -14.009 2.283 1.356 1.00 0.00 H new ATOM 0 HB2 MET A 39 -14.503 1.565 -1.178 1.00 0.00 H new ATOM 0 HB3 MET A 39 -15.914 2.579 -0.951 1.00 0.00 H new ATOM 0 HG2 MET A 39 -14.600 4.300 -1.544 1.00 0.00 H new ATOM 0 HG3 MET A 39 -13.900 4.179 0.058 1.00 0.00 H new ATOM 0 HE1 MET A 39 -10.679 2.089 -0.498 1.00 0.00 H new ATOM 0 HE2 MET A 39 -11.294 3.450 0.471 1.00 0.00 H new ATOM 0 HE3 MET A 39 -12.220 1.933 0.380 1.00 0.00 H new ATOM 617 N ASN A 40 -17.296 2.219 1.414 1.00 0.00 N ATOM 618 CA ASN A 40 -18.479 2.823 2.017 1.00 0.00 C ATOM 619 C ASN A 40 -18.545 2.585 3.528 1.00 0.00 C ATOM 620 O ASN A 40 -19.278 3.276 4.235 1.00 0.00 O ATOM 621 CB ASN A 40 -19.741 2.275 1.350 1.00 0.00 C ATOM 622 CG ASN A 40 -19.956 2.846 -0.037 1.00 0.00 C ATOM 623 OD1 ASN A 40 -20.364 3.998 -0.191 1.00 0.00 O ATOM 624 ND2 ASN A 40 -19.682 2.042 -1.060 1.00 0.00 N ATOM 0 H ASN A 40 -17.486 1.379 0.867 1.00 0.00 H new ATOM 0 HA ASN A 40 -18.412 3.899 1.858 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -19.673 1.189 1.286 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -20.606 2.504 1.972 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -19.808 2.373 -2.017 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -19.346 1.094 -0.888 1.00 0.00 H new ATOM 631 N THR A 41 -17.813 1.585 4.019 1.00 0.00 N ATOM 632 CA THR A 41 -17.847 1.257 5.447 1.00 0.00 C ATOM 633 C THR A 41 -16.686 1.847 6.248 1.00 0.00 C ATOM 634 O THR A 41 -16.896 2.669 7.139 1.00 0.00 O ATOM 635 CB THR A 41 -17.873 -0.265 5.658 1.00 0.00 C ATOM 636 OG1 THR A 41 -17.536 -0.590 6.994 1.00 0.00 O ATOM 637 CG2 THR A 41 -16.932 -1.034 4.755 1.00 0.00 C ATOM 0 H THR A 41 -17.197 0.995 3.460 1.00 0.00 H new ATOM 0 HA THR A 41 -18.763 1.713 5.822 1.00 0.00 H new ATOM 0 HB THR A 41 -18.894 -0.559 5.413 1.00 0.00 H new ATOM 0 HG1 THR A 41 -17.559 -1.563 7.110 1.00 0.00 H new ATOM 0 HG21 THR A 41 -17.013 -2.100 4.969 1.00 0.00 H new ATOM 0 HG22 THR A 41 -17.197 -0.852 3.714 1.00 0.00 H new ATOM 0 HG23 THR A 41 -15.908 -0.705 4.932 1.00 0.00 H new ATOM 645 N GLU A 42 -15.477 1.372 5.980 1.00 0.00 N ATOM 646 CA GLU A 42 -14.304 1.797 6.735 1.00 0.00 C ATOM 647 C GLU A 42 -13.521 2.920 6.057 1.00 0.00 C ATOM 648 O GLU A 42 -12.763 3.633 6.715 1.00 0.00 O ATOM 649 CB GLU A 42 -13.392 0.590 6.976 1.00 0.00 C ATOM 650 CG GLU A 42 -14.116 -0.755 6.901 1.00 0.00 C ATOM 651 CD GLU A 42 -13.726 -1.690 8.029 1.00 0.00 C ATOM 652 OE1 GLU A 42 -12.596 -1.560 8.545 1.00 0.00 O ATOM 653 OE2 GLU A 42 -14.551 -2.552 8.397 1.00 0.00 O ATOM 0 H GLU A 42 -15.282 0.692 5.245 1.00 0.00 H new ATOM 0 HA GLU A 42 -14.661 2.202 7.682 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -12.588 0.601 6.240 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -12.927 0.688 7.957 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -15.192 -0.586 6.930 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -13.893 -1.231 5.946 1.00 0.00 H new ATOM 660 N LEU A 43 -13.694 3.083 4.752 1.00 0.00 N ATOM 661 CA LEU A 43 -12.986 4.131 4.024 1.00 0.00 C ATOM 662 C LEU A 43 -13.971 5.081 3.362 1.00 0.00 C ATOM 663 O LEU A 43 -13.828 5.434 2.192 1.00 0.00 O ATOM 664 CB LEU A 43 -12.051 3.517 2.981 1.00 0.00 C ATOM 665 CG LEU A 43 -10.724 2.995 3.536 1.00 0.00 C ATOM 666 CD1 LEU A 43 -9.940 2.273 2.453 1.00 0.00 C ATOM 667 CD2 LEU A 43 -9.904 4.136 4.121 1.00 0.00 C ATOM 0 H LEU A 43 -14.312 2.509 4.179 1.00 0.00 H new ATOM 0 HA LEU A 43 -12.386 4.700 4.735 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -12.570 2.696 2.487 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -11.840 4.266 2.217 1.00 0.00 H new ATOM 0 HG LEU A 43 -10.940 2.284 4.334 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -8.999 1.909 2.866 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -10.524 1.431 2.082 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -9.734 2.961 1.633 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -8.964 3.746 4.511 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -9.697 4.871 3.343 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -10.463 4.609 4.928 1.00 0.00 H new ATOM 679 N ALA A 44 -14.978 5.486 4.127 1.00 0.00 N ATOM 680 CA ALA A 44 -16.003 6.392 3.632 1.00 0.00 C ATOM 681 C ALA A 44 -15.522 7.835 3.669 1.00 0.00 C ATOM 682 O ALA A 44 -15.897 8.647 2.824 1.00 0.00 O ATOM 683 CB ALA A 44 -17.277 6.231 4.448 1.00 0.00 C ATOM 0 H ALA A 44 -15.105 5.198 5.097 1.00 0.00 H new ATOM 0 HA ALA A 44 -16.214 6.139 2.593 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -18.039 6.913 4.071 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -17.635 5.205 4.365 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -17.071 6.460 5.494 1.00 0.00 H new ATOM 689 N ALA A 45 -14.680 8.148 4.648 1.00 0.00 N ATOM 690 CA ALA A 45 -14.138 9.494 4.786 1.00 0.00 C ATOM 691 C ALA A 45 -13.403 9.916 3.517 1.00 0.00 C ATOM 692 O ALA A 45 -13.254 11.105 3.238 1.00 0.00 O ATOM 693 CB ALA A 45 -13.211 9.565 5.991 1.00 0.00 C ATOM 0 H ALA A 45 -14.359 7.489 5.357 1.00 0.00 H new ATOM 0 HA ALA A 45 -14.966 10.186 4.941 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -12.812 10.575 6.084 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -13.767 9.310 6.893 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -12.389 8.861 5.860 1.00 0.00 H new ATOM 699 N PHE A 46 -12.949 8.929 2.749 1.00 0.00 N ATOM 700 CA PHE A 46 -12.233 9.188 1.506 1.00 0.00 C ATOM 701 C PHE A 46 -13.197 9.263 0.320 1.00 0.00 C ATOM 702 O PHE A 46 -12.801 9.628 -0.788 1.00 0.00 O ATOM 703 CB PHE A 46 -11.189 8.094 1.265 1.00 0.00 C ATOM 704 CG PHE A 46 -10.167 7.999 2.362 1.00 0.00 C ATOM 705 CD1 PHE A 46 -10.442 7.295 3.523 1.00 0.00 C ATOM 706 CD2 PHE A 46 -8.933 8.617 2.233 1.00 0.00 C ATOM 707 CE1 PHE A 46 -9.505 7.208 4.535 1.00 0.00 C ATOM 708 CE2 PHE A 46 -7.993 8.534 3.242 1.00 0.00 C ATOM 709 CZ PHE A 46 -8.279 7.828 4.395 1.00 0.00 C ATOM 0 H PHE A 46 -13.066 7.940 2.968 1.00 0.00 H new ATOM 0 HA PHE A 46 -11.731 10.151 1.597 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -11.695 7.134 1.165 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -10.681 8.287 0.320 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -11.399 6.809 3.638 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -8.704 9.170 1.334 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -9.731 6.655 5.435 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -7.035 9.021 3.130 1.00 0.00 H new ATOM 0 HZ PHE A 46 -7.545 7.761 5.185 1.00 0.00 H new ATOM 719 N THR A 47 -14.461 8.917 0.558 1.00 0.00 N ATOM 720 CA THR A 47 -15.473 8.947 -0.493 1.00 0.00 C ATOM 721 C THR A 47 -16.516 10.028 -0.218 1.00 0.00 C ATOM 722 O THR A 47 -17.118 10.571 -1.145 1.00 0.00 O ATOM 723 CB THR A 47 -16.159 7.584 -0.611 1.00 0.00 C ATOM 724 OG1 THR A 47 -17.137 7.426 0.401 1.00 0.00 O ATOM 725 CG2 THR A 47 -15.199 6.417 -0.508 1.00 0.00 C ATOM 0 H THR A 47 -14.807 8.613 1.468 1.00 0.00 H new ATOM 0 HA THR A 47 -14.973 9.179 -1.433 1.00 0.00 H new ATOM 0 HB THR A 47 -16.611 7.574 -1.603 1.00 0.00 H new ATOM 0 HG1 THR A 47 -16.803 7.805 1.241 1.00 0.00 H new ATOM 0 HG21 THR A 47 -15.752 5.482 -0.600 1.00 0.00 H new ATOM 0 HG22 THR A 47 -14.460 6.482 -1.307 1.00 0.00 H new ATOM 0 HG23 THR A 47 -14.693 6.446 0.457 1.00 0.00 H new ATOM 841 N VAL A 55 -10.456 9.731 -8.199 1.00 0.00 N ATOM 842 CA VAL A 55 -9.669 9.025 -7.195 1.00 0.00 C ATOM 843 C VAL A 55 -10.051 7.547 -7.124 1.00 0.00 C ATOM 844 O VAL A 55 -9.231 6.673 -7.388 1.00 0.00 O ATOM 845 CB VAL A 55 -9.846 9.663 -5.802 1.00 0.00 C ATOM 846 CG1 VAL A 55 -8.997 8.942 -4.764 1.00 0.00 C ATOM 847 CG2 VAL A 55 -9.498 11.143 -5.848 1.00 0.00 C ATOM 0 HA VAL A 55 -8.625 9.105 -7.496 1.00 0.00 H new ATOM 0 HB VAL A 55 -10.891 9.563 -5.510 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -9.138 9.410 -3.790 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -9.298 7.896 -4.711 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -7.946 9.004 -5.047 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -9.628 11.578 -4.857 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -8.462 11.263 -6.164 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -10.154 11.649 -6.556 1.00 0.00 H new ATOM 857 N LEU A 56 -11.298 7.283 -6.749 1.00 0.00 N ATOM 858 CA LEU A 56 -11.802 5.931 -6.616 1.00 0.00 C ATOM 859 C LEU A 56 -11.830 5.185 -7.953 1.00 0.00 C ATOM 860 O LEU A 56 -11.351 4.056 -8.053 1.00 0.00 O ATOM 861 CB LEU A 56 -13.207 5.975 -6.010 1.00 0.00 C ATOM 862 CG LEU A 56 -13.592 4.751 -5.187 1.00 0.00 C ATOM 863 CD1 LEU A 56 -15.102 4.662 -5.027 1.00 0.00 C ATOM 864 CD2 LEU A 56 -13.044 3.503 -5.847 1.00 0.00 C ATOM 0 H LEU A 56 -11.984 8.005 -6.530 1.00 0.00 H new ATOM 0 HA LEU A 56 -11.124 5.384 -5.960 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -13.286 6.859 -5.377 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -13.931 6.094 -6.816 1.00 0.00 H new ATOM 0 HG LEU A 56 -13.159 4.842 -4.191 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -15.354 3.781 -4.436 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -15.467 5.555 -4.520 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -15.568 4.586 -6.009 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -13.320 2.629 -5.258 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -13.459 3.410 -6.851 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -11.958 3.571 -5.909 1.00 0.00 H new ATOM 876 N ASP A 57 -12.412 5.812 -8.968 1.00 0.00 N ATOM 877 CA ASP A 57 -12.529 5.202 -10.290 1.00 0.00 C ATOM 878 C ASP A 57 -11.170 4.778 -10.845 1.00 0.00 C ATOM 879 O ASP A 57 -11.029 3.676 -11.374 1.00 0.00 O ATOM 880 CB ASP A 57 -13.207 6.173 -11.255 1.00 0.00 C ATOM 881 CG ASP A 57 -13.676 5.492 -12.526 1.00 0.00 C ATOM 882 OD1 ASP A 57 -14.609 4.667 -12.447 1.00 0.00 O ATOM 883 OD2 ASP A 57 -13.110 5.784 -13.599 1.00 0.00 O ATOM 0 H ASP A 57 -12.813 6.748 -8.902 1.00 0.00 H new ATOM 0 HA ASP A 57 -13.138 4.304 -10.186 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -14.059 6.638 -10.759 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -12.512 6.973 -11.510 1.00 0.00 H new ATOM 888 N ARG A 58 -10.176 5.651 -10.725 1.00 0.00 N ATOM 889 CA ARG A 58 -8.836 5.352 -11.224 1.00 0.00 C ATOM 890 C ARG A 58 -8.277 4.094 -10.567 1.00 0.00 C ATOM 891 O ARG A 58 -7.408 3.424 -11.123 1.00 0.00 O ATOM 892 CB ARG A 58 -7.896 6.529 -10.960 1.00 0.00 C ATOM 893 CG ARG A 58 -7.357 7.181 -12.224 1.00 0.00 C ATOM 894 CD ARG A 58 -5.839 7.264 -12.207 1.00 0.00 C ATOM 895 NE ARG A 58 -5.363 8.475 -11.543 1.00 0.00 N ATOM 896 CZ ARG A 58 -4.141 8.610 -11.030 1.00 0.00 C ATOM 897 NH1 ARG A 58 -3.269 7.612 -11.103 1.00 0.00 N ATOM 898 NH2 ARG A 58 -3.791 9.746 -10.442 1.00 0.00 N ATOM 0 H ARG A 58 -10.270 6.568 -10.289 1.00 0.00 H new ATOM 0 HA ARG A 58 -8.909 5.182 -12.298 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -8.425 7.280 -10.373 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -7.058 6.184 -10.355 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -7.681 6.611 -13.095 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -7.776 8.182 -12.325 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -5.434 6.389 -11.698 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -5.463 7.240 -13.230 1.00 0.00 H new ATOM 0 HE ARG A 58 -6.005 9.264 -11.468 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -3.533 6.736 -11.554 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -2.335 7.721 -10.708 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -4.457 10.516 -10.383 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -2.855 9.850 -10.049 1.00 0.00 H new ATOM 911 N MET A 59 -8.767 3.792 -9.373 1.00 0.00 N ATOM 912 CA MET A 59 -8.302 2.628 -8.630 1.00 0.00 C ATOM 913 C MET A 59 -8.661 1.333 -9.323 1.00 0.00 C ATOM 914 O MET A 59 -7.809 0.483 -9.578 1.00 0.00 O ATOM 915 CB MET A 59 -8.931 2.635 -7.231 1.00 0.00 C ATOM 916 CG MET A 59 -8.768 3.940 -6.495 1.00 0.00 C ATOM 917 SD MET A 59 -7.193 4.750 -6.841 1.00 0.00 S ATOM 918 CE MET A 59 -6.101 3.336 -6.782 1.00 0.00 C ATOM 0 H MET A 59 -9.487 4.337 -8.897 1.00 0.00 H new ATOM 0 HA MET A 59 -7.215 2.688 -8.567 1.00 0.00 H new ATOM 0 HB2 MET A 59 -9.994 2.410 -7.320 1.00 0.00 H new ATOM 0 HB3 MET A 59 -8.484 1.837 -6.638 1.00 0.00 H new ATOM 0 HG2 MET A 59 -9.583 4.610 -6.769 1.00 0.00 H new ATOM 0 HG3 MET A 59 -8.850 3.759 -5.423 1.00 0.00 H new ATOM 0 HE1 MET A 59 -5.423 3.435 -5.935 1.00 0.00 H new ATOM 0 HE2 MET A 59 -6.690 2.426 -6.671 1.00 0.00 H new ATOM 0 HE3 MET A 59 -5.523 3.284 -7.705 1.00 0.00 H new ATOM 928 N MET A 60 -9.932 1.193 -9.596 1.00 0.00 N ATOM 929 CA MET A 60 -10.457 -0.005 -10.238 1.00 0.00 C ATOM 930 C MET A 60 -10.103 -0.073 -11.721 1.00 0.00 C ATOM 931 O MET A 60 -9.630 -1.102 -12.201 1.00 0.00 O ATOM 932 CB MET A 60 -11.965 -0.081 -10.031 1.00 0.00 C ATOM 933 CG MET A 60 -12.356 0.022 -8.566 1.00 0.00 C ATOM 934 SD MET A 60 -12.618 -1.589 -7.803 1.00 0.00 S ATOM 935 CE MET A 60 -11.120 -2.436 -8.299 1.00 0.00 C ATOM 0 H MET A 60 -10.638 1.898 -9.384 1.00 0.00 H new ATOM 0 HA MET A 60 -9.986 -0.869 -9.769 1.00 0.00 H new ATOM 0 HB2 MET A 60 -12.446 0.722 -10.590 1.00 0.00 H new ATOM 0 HB3 MET A 60 -12.338 -1.021 -10.438 1.00 0.00 H new ATOM 0 HG2 MET A 60 -11.576 0.555 -8.022 1.00 0.00 H new ATOM 0 HG3 MET A 60 -13.267 0.614 -8.478 1.00 0.00 H new ATOM 0 HE1 MET A 60 -10.853 -3.175 -7.543 1.00 0.00 H new ATOM 0 HE2 MET A 60 -11.284 -2.936 -9.253 1.00 0.00 H new ATOM 0 HE3 MET A 60 -10.311 -1.713 -8.402 1.00 0.00 H new ATOM 1083 N GLN A 70 -9.336 -11.034 -11.231 1.00 0.00 N ATOM 1084 CA GLN A 70 -9.810 -10.621 -9.919 1.00 0.00 C ATOM 1085 C GLN A 70 -8.892 -9.566 -9.309 1.00 0.00 C ATOM 1086 O GLN A 70 -7.952 -9.099 -9.952 1.00 0.00 O ATOM 1087 CB GLN A 70 -9.897 -11.834 -8.989 1.00 0.00 C ATOM 1088 CG GLN A 70 -11.184 -12.626 -9.146 1.00 0.00 C ATOM 1089 CD GLN A 70 -12.302 -12.114 -8.256 1.00 0.00 C ATOM 1090 OE1 GLN A 70 -12.313 -10.809 -8.001 1.00 0.00 O flip ATOM 1091 NE2 GLN A 70 -13.147 -12.885 -7.801 1.00 0.00 N flip ATOM 0 HA GLN A 70 -10.801 -10.183 -10.039 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -9.049 -12.491 -9.182 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -9.811 -11.497 -7.956 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -11.506 -12.584 -10.186 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -10.991 -13.673 -8.913 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -13.101 -13.880 -8.022 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -13.893 -12.529 -7.203 1.00 0.00 H new ATOM 1100 N LEU A 71 -9.169 -9.201 -8.061 1.00 0.00 N ATOM 1101 CA LEU A 71 -8.372 -8.215 -7.356 1.00 0.00 C ATOM 1102 C LEU A 71 -6.990 -8.800 -7.046 1.00 0.00 C ATOM 1103 O LEU A 71 -6.425 -9.510 -7.878 1.00 0.00 O ATOM 1104 CB LEU A 71 -9.122 -7.780 -6.086 1.00 0.00 C ATOM 1105 CG LEU A 71 -9.804 -6.409 -6.152 1.00 0.00 C ATOM 1106 CD1 LEU A 71 -8.841 -5.312 -5.738 1.00 0.00 C ATOM 1107 CD2 LEU A 71 -10.358 -6.141 -7.544 1.00 0.00 C ATOM 0 H LEU A 71 -9.946 -9.579 -7.518 1.00 0.00 H new ATOM 0 HA LEU A 71 -8.218 -7.329 -7.973 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -9.879 -8.531 -5.858 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -8.418 -7.775 -5.254 1.00 0.00 H new ATOM 0 HG LEU A 71 -10.640 -6.414 -5.453 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -9.344 -4.347 -5.792 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -8.505 -5.490 -4.717 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -7.981 -5.311 -6.408 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -10.836 -5.162 -7.563 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -9.545 -6.162 -8.269 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -11.090 -6.908 -7.798 1.00 0.00 H new ATOM 1119 N ASP A 72 -6.442 -8.518 -5.866 1.00 0.00 N ATOM 1120 CA ASP A 72 -5.130 -9.042 -5.494 1.00 0.00 C ATOM 1121 C ASP A 72 -4.659 -8.450 -4.174 1.00 0.00 C ATOM 1122 O ASP A 72 -5.254 -7.506 -3.654 1.00 0.00 O ATOM 1123 CB ASP A 72 -4.096 -8.747 -6.588 1.00 0.00 C ATOM 1124 CG ASP A 72 -3.286 -9.973 -6.962 1.00 0.00 C ATOM 1125 OD1 ASP A 72 -2.577 -10.506 -6.083 1.00 0.00 O ATOM 1126 OD2 ASP A 72 -3.360 -10.399 -8.133 1.00 0.00 O ATOM 0 H ASP A 72 -6.882 -7.934 -5.155 1.00 0.00 H new ATOM 0 HA ASP A 72 -5.228 -10.121 -5.379 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -4.606 -8.368 -7.473 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -3.423 -7.961 -6.246 1.00 0.00 H new ATOM 1131 N PHE A 73 -3.580 -9.010 -3.639 1.00 0.00 N ATOM 1132 CA PHE A 73 -3.019 -8.539 -2.381 1.00 0.00 C ATOM 1133 C PHE A 73 -2.623 -7.071 -2.478 1.00 0.00 C ATOM 1134 O PHE A 73 -3.166 -6.226 -1.767 1.00 0.00 O ATOM 1135 CB PHE A 73 -1.811 -9.387 -1.993 1.00 0.00 C ATOM 1136 CG PHE A 73 -2.120 -10.445 -0.973 1.00 0.00 C ATOM 1137 CD1 PHE A 73 -2.741 -11.625 -1.347 1.00 0.00 C ATOM 1138 CD2 PHE A 73 -1.789 -10.258 0.359 1.00 0.00 C ATOM 1139 CE1 PHE A 73 -3.026 -12.601 -0.411 1.00 0.00 C ATOM 1140 CE2 PHE A 73 -2.071 -11.230 1.300 1.00 0.00 C ATOM 1141 CZ PHE A 73 -2.691 -12.404 0.915 1.00 0.00 C ATOM 0 H PHE A 73 -3.077 -9.792 -4.059 1.00 0.00 H new ATOM 0 HA PHE A 73 -3.782 -8.636 -1.609 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -1.410 -9.863 -2.888 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -1.030 -8.734 -1.602 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -3.006 -11.784 -2.382 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -1.305 -9.342 0.666 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -3.510 -13.517 -0.716 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -1.807 -11.073 2.335 1.00 0.00 H new ATOM 0 HZ PHE A 73 -2.913 -13.165 1.648 1.00 0.00 H new ATOM 1151 N GLN A 74 -1.678 -6.765 -3.365 1.00 0.00 N ATOM 1152 CA GLN A 74 -1.234 -5.388 -3.537 1.00 0.00 C ATOM 1153 C GLN A 74 -2.340 -4.540 -4.143 1.00 0.00 C ATOM 1154 O GLN A 74 -2.403 -3.345 -3.892 1.00 0.00 O ATOM 1155 CB GLN A 74 0.021 -5.300 -4.408 1.00 0.00 C ATOM 1156 CG GLN A 74 0.445 -3.865 -4.722 1.00 0.00 C ATOM 1157 CD GLN A 74 0.564 -2.992 -3.480 1.00 0.00 C ATOM 1158 OE1 GLN A 74 0.084 -1.749 -3.569 1.00 0.00 O flip ATOM 1159 NE2 GLN A 74 1.082 -3.429 -2.452 1.00 0.00 N flip ATOM 0 H GLN A 74 -1.212 -7.443 -3.967 1.00 0.00 H new ATOM 0 HA GLN A 74 -0.987 -5.004 -2.547 1.00 0.00 H new ATOM 0 HB2 GLN A 74 0.841 -5.811 -3.903 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -0.157 -5.831 -5.343 1.00 0.00 H new ATOM 0 HG2 GLN A 74 1.403 -3.881 -5.241 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -0.279 -3.419 -5.404 1.00 0.00 H new ATOM 0 HE21 GLN A 74 1.436 -4.385 -2.426 1.00 0.00 H new ATOM 0 HE22 GLN A 74 1.157 -2.835 -1.626 1.00 0.00 H new ATOM 1168 N GLU A 75 -3.220 -5.156 -4.938 1.00 0.00 N ATOM 1169 CA GLU A 75 -4.317 -4.423 -5.557 1.00 0.00 C ATOM 1170 C GLU A 75 -4.970 -3.500 -4.545 1.00 0.00 C ATOM 1171 O GLU A 75 -5.301 -2.357 -4.852 1.00 0.00 O ATOM 1172 CB GLU A 75 -5.355 -5.398 -6.110 1.00 0.00 C ATOM 1173 CG GLU A 75 -5.275 -5.609 -7.610 1.00 0.00 C ATOM 1174 CD GLU A 75 -3.874 -5.428 -8.172 1.00 0.00 C ATOM 1175 OE1 GLU A 75 -3.083 -6.393 -8.116 1.00 0.00 O ATOM 1176 OE2 GLU A 75 -3.571 -4.321 -8.667 1.00 0.00 O ATOM 0 H GLU A 75 -3.191 -6.150 -5.164 1.00 0.00 H new ATOM 0 HA GLU A 75 -3.916 -3.825 -6.376 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -5.234 -6.360 -5.612 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -6.351 -5.032 -5.859 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -5.627 -6.613 -7.847 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -5.950 -4.910 -8.104 1.00 0.00 H new ATOM 1183 N PHE A 76 -5.124 -4.001 -3.327 1.00 0.00 N ATOM 1184 CA PHE A 76 -5.706 -3.217 -2.255 1.00 0.00 C ATOM 1185 C PHE A 76 -4.714 -2.151 -1.817 1.00 0.00 C ATOM 1186 O PHE A 76 -5.027 -0.966 -1.820 1.00 0.00 O ATOM 1187 CB PHE A 76 -6.077 -4.121 -1.085 1.00 0.00 C ATOM 1188 CG PHE A 76 -7.089 -3.516 -0.154 1.00 0.00 C ATOM 1189 CD1 PHE A 76 -6.836 -2.311 0.483 1.00 0.00 C ATOM 1190 CD2 PHE A 76 -8.295 -4.155 0.085 1.00 0.00 C ATOM 1191 CE1 PHE A 76 -7.767 -1.755 1.339 1.00 0.00 C ATOM 1192 CE2 PHE A 76 -9.230 -3.604 0.941 1.00 0.00 C ATOM 1193 CZ PHE A 76 -8.966 -2.403 1.568 1.00 0.00 C ATOM 0 H PHE A 76 -4.853 -4.947 -3.060 1.00 0.00 H new ATOM 0 HA PHE A 76 -6.615 -2.732 -2.610 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -6.469 -5.061 -1.473 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -5.175 -4.360 -0.522 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -5.900 -1.801 0.308 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -8.507 -5.095 -0.403 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -7.558 -0.815 1.829 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -10.166 -4.113 1.119 1.00 0.00 H new ATOM 0 HZ PHE A 76 -9.695 -1.970 2.237 1.00 0.00 H new ATOM 1203 N LEU A 77 -3.499 -2.577 -1.477 1.00 0.00 N ATOM 1204 CA LEU A 77 -2.453 -1.646 -1.079 1.00 0.00 C ATOM 1205 C LEU A 77 -2.265 -0.594 -2.169 1.00 0.00 C ATOM 1206 O LEU A 77 -1.983 0.572 -1.893 1.00 0.00 O ATOM 1207 CB LEU A 77 -1.145 -2.402 -0.835 1.00 0.00 C ATOM 1208 CG LEU A 77 -0.902 -2.809 0.616 1.00 0.00 C ATOM 1209 CD1 LEU A 77 0.126 -3.928 0.697 1.00 0.00 C ATOM 1210 CD2 LEU A 77 -0.453 -1.604 1.417 1.00 0.00 C ATOM 0 H LEU A 77 -3.218 -3.558 -1.470 1.00 0.00 H new ATOM 0 HA LEU A 77 -2.743 -1.149 -0.153 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -1.139 -3.298 -1.455 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -0.314 -1.779 -1.167 1.00 0.00 H new ATOM 0 HG LEU A 77 -1.834 -3.184 1.039 1.00 0.00 H new ATOM 0 HD11 LEU A 77 0.284 -4.202 1.740 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -0.236 -4.795 0.144 1.00 0.00 H new ATOM 0 HD13 LEU A 77 1.067 -3.589 0.265 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -0.281 -1.899 2.452 1.00 0.00 H new ATOM 0 HD22 LEU A 77 0.471 -1.209 0.994 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -1.225 -0.836 1.382 1.00 0.00 H new ATOM 1222 N ASN A 78 -2.456 -1.029 -3.410 1.00 0.00 N ATOM 1223 CA ASN A 78 -2.348 -0.162 -4.575 1.00 0.00 C ATOM 1224 C ASN A 78 -3.566 0.736 -4.648 1.00 0.00 C ATOM 1225 O ASN A 78 -3.456 1.952 -4.803 1.00 0.00 O ATOM 1226 CB ASN A 78 -2.270 -1.002 -5.856 1.00 0.00 C ATOM 1227 CG ASN A 78 -0.945 -0.871 -6.577 1.00 0.00 C ATOM 1228 OD1 ASN A 78 -0.296 0.173 -6.533 1.00 0.00 O ATOM 1229 ND2 ASN A 78 -0.539 -1.943 -7.248 1.00 0.00 N ATOM 0 H ASN A 78 -2.691 -1.996 -3.635 1.00 0.00 H new ATOM 0 HA ASN A 78 -1.444 0.440 -4.484 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -2.438 -2.050 -5.606 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -3.073 -0.702 -6.529 1.00 0.00 H new ATOM 0 HD21 ASN A 78 0.345 -1.922 -7.756 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -1.112 -2.787 -7.256 1.00 0.00 H new ATOM 1236 N LEU A 79 -4.733 0.113 -4.540 1.00 0.00 N ATOM 1237 CA LEU A 79 -5.982 0.838 -4.598 1.00 0.00 C ATOM 1238 C LEU A 79 -6.112 1.781 -3.413 1.00 0.00 C ATOM 1239 O LEU A 79 -6.241 2.986 -3.595 1.00 0.00 O ATOM 1240 CB LEU A 79 -7.159 -0.139 -4.636 1.00 0.00 C ATOM 1241 CG LEU A 79 -7.692 -0.444 -6.039 1.00 0.00 C ATOM 1242 CD1 LEU A 79 -6.607 -1.018 -6.929 1.00 0.00 C ATOM 1243 CD2 LEU A 79 -8.872 -1.390 -5.973 1.00 0.00 C ATOM 0 H LEU A 79 -4.834 -0.894 -4.412 1.00 0.00 H new ATOM 0 HA LEU A 79 -5.993 1.434 -5.510 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -6.853 -1.074 -4.167 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -7.971 0.268 -4.034 1.00 0.00 H new ATOM 0 HG LEU A 79 -8.025 0.498 -6.475 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -7.018 -1.223 -7.917 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -5.791 -0.300 -7.017 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -6.231 -1.943 -6.493 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -9.233 -1.592 -6.981 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -8.563 -2.324 -5.504 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -9.670 -0.936 -5.386 1.00 0.00 H new ATOM 1255 N ILE A 80 -6.055 1.225 -2.204 1.00 0.00 N ATOM 1256 CA ILE A 80 -6.155 2.015 -0.982 1.00 0.00 C ATOM 1257 C ILE A 80 -4.958 2.948 -0.827 1.00 0.00 C ATOM 1258 O ILE A 80 -5.123 4.136 -0.549 1.00 0.00 O ATOM 1259 CB ILE A 80 -6.298 1.115 0.266 1.00 0.00 C ATOM 1260 CG1 ILE A 80 -7.032 1.865 1.377 1.00 0.00 C ATOM 1261 CG2 ILE A 80 -4.944 0.637 0.755 1.00 0.00 C ATOM 1262 CD1 ILE A 80 -6.122 2.713 2.241 1.00 0.00 C ATOM 0 H ILE A 80 -5.939 0.224 -2.046 1.00 0.00 H new ATOM 0 HA ILE A 80 -7.056 2.622 -1.067 1.00 0.00 H new ATOM 0 HB ILE A 80 -6.882 0.238 -0.014 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -7.794 2.504 0.930 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -7.551 1.144 2.009 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -5.077 0.006 1.634 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -4.454 0.064 -0.032 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -4.327 1.497 1.015 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -6.712 3.215 3.007 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -5.375 2.077 2.717 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -5.622 3.458 1.622 1.00 0.00 H new ATOM 1274 N GLY A 81 -3.754 2.417 -1.034 1.00 0.00 N ATOM 1275 CA GLY A 81 -2.568 3.245 -0.937 1.00 0.00 C ATOM 1276 C GLY A 81 -2.685 4.424 -1.867 1.00 0.00 C ATOM 1277 O GLY A 81 -2.516 5.574 -1.459 1.00 0.00 O ATOM 0 H GLY A 81 -3.582 1.438 -1.265 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -2.439 3.592 0.088 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -1.684 2.659 -1.189 1.00 0.00 H new ATOM 1281 N GLY A 82 -3.018 4.133 -3.121 1.00 0.00 N ATOM 1282 CA GLY A 82 -3.203 5.191 -4.096 1.00 0.00 C ATOM 1283 C GLY A 82 -4.233 6.211 -3.630 1.00 0.00 C ATOM 1284 O GLY A 82 -4.146 7.391 -3.972 1.00 0.00 O ATOM 0 H GLY A 82 -3.162 3.188 -3.477 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -2.251 5.691 -4.276 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -3.521 4.760 -5.045 1.00 0.00 H new ATOM 1288 N LEU A 83 -5.204 5.754 -2.833 1.00 0.00 N ATOM 1289 CA LEU A 83 -6.247 6.636 -2.303 1.00 0.00 C ATOM 1290 C LEU A 83 -5.647 7.634 -1.342 1.00 0.00 C ATOM 1291 O LEU A 83 -5.917 8.829 -1.419 1.00 0.00 O ATOM 1292 CB LEU A 83 -7.336 5.826 -1.593 1.00 0.00 C ATOM 1293 CG LEU A 83 -7.869 4.662 -2.411 1.00 0.00 C ATOM 1294 CD1 LEU A 83 -9.054 3.993 -1.752 1.00 0.00 C ATOM 1295 CD2 LEU A 83 -8.238 5.132 -3.797 1.00 0.00 C ATOM 0 H LEU A 83 -5.289 4.780 -2.541 1.00 0.00 H new ATOM 0 HA LEU A 83 -6.699 7.169 -3.140 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -6.937 5.444 -0.653 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -8.163 6.490 -1.342 1.00 0.00 H new ATOM 0 HG LEU A 83 -7.075 3.918 -2.477 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -9.399 3.168 -2.375 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -8.759 3.611 -0.774 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -9.860 4.717 -1.631 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -8.619 4.291 -4.377 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -9.006 5.903 -3.727 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -7.356 5.542 -4.289 1.00 0.00 H new ATOM 1307 N ALA A 84 -4.823 7.134 -0.437 1.00 0.00 N ATOM 1308 CA ALA A 84 -4.176 7.993 0.539 1.00 0.00 C ATOM 1309 C ALA A 84 -3.411 9.113 -0.150 1.00 0.00 C ATOM 1310 O ALA A 84 -3.335 10.233 0.349 1.00 0.00 O ATOM 1311 CB ALA A 84 -3.229 7.184 1.400 1.00 0.00 C ATOM 0 H ALA A 84 -4.588 6.145 -0.358 1.00 0.00 H new ATOM 0 HA ALA A 84 -4.949 8.434 1.169 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -2.750 7.839 2.128 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -3.786 6.407 1.923 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -2.468 6.723 0.770 1.00 0.00 H new ATOM 1317 N VAL A 85 -2.848 8.799 -1.305 1.00 0.00 N ATOM 1318 CA VAL A 85 -2.084 9.776 -2.070 1.00 0.00 C ATOM 1319 C VAL A 85 -2.990 10.617 -2.952 1.00 0.00 C ATOM 1320 O VAL A 85 -2.600 11.684 -3.425 1.00 0.00 O ATOM 1321 CB VAL A 85 -0.984 9.120 -2.936 1.00 0.00 C ATOM 1322 CG1 VAL A 85 0.366 9.700 -2.574 1.00 0.00 C ATOM 1323 CG2 VAL A 85 -0.963 7.606 -2.768 1.00 0.00 C ATOM 0 H VAL A 85 -2.904 7.876 -1.735 1.00 0.00 H new ATOM 0 HA VAL A 85 -1.597 10.419 -1.337 1.00 0.00 H new ATOM 0 HB VAL A 85 -1.207 9.334 -3.981 1.00 0.00 H new ATOM 0 HG11 VAL A 85 1.138 9.235 -3.187 1.00 0.00 H new ATOM 0 HG12 VAL A 85 0.360 10.775 -2.753 1.00 0.00 H new ATOM 0 HG13 VAL A 85 0.574 9.508 -1.521 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -0.177 7.182 -3.392 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -0.771 7.358 -1.724 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -1.926 7.193 -3.067 1.00 0.00 H new ATOM 1333 N ALA A 86 -4.198 10.131 -3.173 1.00 0.00 N ATOM 1334 CA ALA A 86 -5.159 10.833 -3.999 1.00 0.00 C ATOM 1335 C ALA A 86 -6.377 11.261 -3.191 1.00 0.00 C ATOM 1336 O ALA A 86 -7.424 11.577 -3.752 1.00 0.00 O ATOM 1337 CB ALA A 86 -5.577 9.932 -5.138 1.00 0.00 C ATOM 0 H ALA A 86 -4.536 9.249 -2.789 1.00 0.00 H new ATOM 0 HA ALA A 86 -4.692 11.737 -4.391 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -6.301 10.451 -5.766 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -4.703 9.669 -5.733 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -6.029 9.025 -4.737 1.00 0.00 H new ATOM 1343 N CYS A 87 -6.241 11.254 -1.869 1.00 0.00 N ATOM 1344 CA CYS A 87 -7.349 11.628 -1.002 1.00 0.00 C ATOM 1345 C CYS A 87 -6.899 11.945 0.429 1.00 0.00 C ATOM 1346 O CYS A 87 -7.522 12.767 1.101 1.00 0.00 O ATOM 1347 CB CYS A 87 -8.392 10.509 -0.987 1.00 0.00 C ATOM 1348 SG CYS A 87 -9.957 10.969 -0.206 1.00 0.00 S ATOM 0 H CYS A 87 -5.384 10.996 -1.380 1.00 0.00 H new ATOM 0 HA CYS A 87 -7.784 12.541 -1.408 1.00 0.00 H new ATOM 0 HB2 CYS A 87 -8.588 10.196 -2.012 1.00 0.00 H new ATOM 0 HB3 CYS A 87 -7.977 9.647 -0.465 1.00 0.00 H new ATOM 0 HG CYS A 87 -10.912 10.223 -0.676 1.00 0.00 H new ATOM 1354 N HIS A 88 -5.831 11.299 0.908 1.00 0.00 N ATOM 1355 CA HIS A 88 -5.359 11.552 2.273 1.00 0.00 C ATOM 1356 C HIS A 88 -4.437 12.771 2.339 1.00 0.00 C ATOM 1357 O HIS A 88 -3.339 12.699 2.890 1.00 0.00 O ATOM 1358 CB HIS A 88 -4.642 10.324 2.842 1.00 0.00 C ATOM 1359 CG HIS A 88 -4.460 10.376 4.327 1.00 0.00 C ATOM 1360 ND1 HIS A 88 -5.515 10.385 5.215 1.00 0.00 N ATOM 1361 CD2 HIS A 88 -3.335 10.420 5.080 1.00 0.00 C ATOM 1362 CE1 HIS A 88 -5.047 10.434 6.451 1.00 0.00 C ATOM 1363 NE2 HIS A 88 -3.728 10.455 6.396 1.00 0.00 N ATOM 0 H HIS A 88 -5.288 10.612 0.385 1.00 0.00 H new ATOM 0 HA HIS A 88 -6.240 11.761 2.880 1.00 0.00 H new ATOM 0 HB2 HIS A 88 -5.209 9.430 2.584 1.00 0.00 H new ATOM 0 HB3 HIS A 88 -3.665 10.230 2.367 1.00 0.00 H new ATOM 0 HD2 HIS A 88 -2.319 10.426 4.714 1.00 0.00 H new ATOM 0 HE1 HIS A 88 -5.642 10.454 7.352 1.00 0.00 H new ATOM 0 HE2 HIS A 88 -3.102 10.491 7.200 1.00 0.00 H new ATOM 1372 N GLU A 89 -4.903 13.891 1.789 1.00 0.00 N ATOM 1373 CA GLU A 89 -4.141 15.143 1.792 1.00 0.00 C ATOM 1374 C GLU A 89 -2.647 14.913 1.565 1.00 0.00 C ATOM 1375 O GLU A 89 -1.813 15.654 2.086 1.00 0.00 O ATOM 1376 CB GLU A 89 -4.354 15.882 3.115 1.00 0.00 C ATOM 1377 CG GLU A 89 -5.817 16.104 3.459 1.00 0.00 C ATOM 1378 CD GLU A 89 -6.056 17.422 4.168 1.00 0.00 C ATOM 1379 OE1 GLU A 89 -5.519 17.603 5.282 1.00 0.00 O ATOM 1380 OE2 GLU A 89 -6.779 18.274 3.611 1.00 0.00 O ATOM 0 H GLU A 89 -5.812 13.959 1.332 1.00 0.00 H new ATOM 0 HA GLU A 89 -4.510 15.748 0.964 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -3.883 15.315 3.918 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -3.850 16.847 3.068 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -6.410 16.075 2.545 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -6.166 15.287 4.091 1.00 0.00 H new ATOM 1387 N SER A 90 -2.313 13.893 0.782 1.00 0.00 N ATOM 1388 CA SER A 90 -0.917 13.586 0.490 1.00 0.00 C ATOM 1389 C SER A 90 -0.486 14.250 -0.812 1.00 0.00 C ATOM 1390 O SER A 90 0.340 15.163 -0.811 1.00 0.00 O ATOM 1391 CB SER A 90 -0.712 12.073 0.403 1.00 0.00 C ATOM 1392 OG SER A 90 -0.194 11.558 1.617 1.00 0.00 O ATOM 0 H SER A 90 -2.986 13.267 0.340 1.00 0.00 H new ATOM 0 HA SER A 90 -0.302 13.977 1.300 1.00 0.00 H new ATOM 0 HB2 SER A 90 -1.660 11.587 0.173 1.00 0.00 H new ATOM 0 HB3 SER A 90 -0.029 11.842 -0.415 1.00 0.00 H new ATOM 0 HG SER A 90 0.623 11.048 1.434 1.00 0.00 H new ATOM 1398 N PHE A 91 -1.060 13.793 -1.919 1.00 0.00 N ATOM 1399 CA PHE A 91 -0.746 14.350 -3.228 1.00 0.00 C ATOM 1400 C PHE A 91 -1.878 15.253 -3.705 1.00 0.00 C ATOM 1401 O PHE A 91 -1.643 16.277 -4.347 1.00 0.00 O ATOM 1402 CB PHE A 91 -0.503 13.229 -4.242 1.00 0.00 C ATOM 1403 CG PHE A 91 0.782 13.379 -5.004 1.00 0.00 C ATOM 1404 CD1 PHE A 91 1.990 13.021 -4.428 1.00 0.00 C ATOM 1405 CD2 PHE A 91 0.782 13.878 -6.297 1.00 0.00 C ATOM 1406 CE1 PHE A 91 3.175 13.157 -5.127 1.00 0.00 C ATOM 1407 CE2 PHE A 91 1.963 14.017 -7.000 1.00 0.00 C ATOM 1408 CZ PHE A 91 3.160 13.657 -6.414 1.00 0.00 C ATOM 0 H PHE A 91 -1.745 13.038 -1.935 1.00 0.00 H new ATOM 0 HA PHE A 91 0.164 14.944 -3.141 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -0.497 12.272 -3.720 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -1.333 13.202 -4.947 1.00 0.00 H new ATOM 0 HD1 PHE A 91 2.006 12.631 -3.421 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -0.152 14.161 -6.760 1.00 0.00 H new ATOM 0 HE1 PHE A 91 4.110 12.873 -4.668 1.00 0.00 H new ATOM 0 HE2 PHE A 91 1.950 14.407 -8.007 1.00 0.00 H new ATOM 0 HZ PHE A 91 4.084 13.766 -6.962 1.00 0.00 H new ATOM 1418 N VAL A 92 -3.109 14.867 -3.381 1.00 0.00 N ATOM 1419 CA VAL A 92 -4.284 15.644 -3.772 1.00 0.00 C ATOM 1420 C VAL A 92 -4.191 17.071 -3.246 1.00 0.00 C ATOM 1421 O VAL A 92 -4.661 18.013 -3.884 1.00 0.00 O ATOM 1422 CB VAL A 92 -5.608 15.012 -3.275 1.00 0.00 C ATOM 1423 CG1 VAL A 92 -6.267 14.224 -4.394 1.00 0.00 C ATOM 1424 CG2 VAL A 92 -5.384 14.134 -2.048 1.00 0.00 C ATOM 0 H VAL A 92 -3.320 14.022 -2.850 1.00 0.00 H new ATOM 0 HA VAL A 92 -4.296 15.647 -4.862 1.00 0.00 H new ATOM 0 HB VAL A 92 -6.276 15.820 -2.977 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -7.196 13.785 -4.031 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -6.482 14.890 -5.230 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -5.596 13.431 -4.725 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -6.334 13.707 -1.727 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -4.691 13.330 -2.297 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -4.966 14.736 -1.241 1.00 0.00 H new ATOM 1638 N THR B 4 -10.815 4.636 12.843 1.00 0.00 N ATOM 1639 CA THR B 4 -11.149 3.346 12.250 1.00 0.00 C ATOM 1640 C THR B 4 -9.899 2.511 12.021 1.00 0.00 C ATOM 1641 O THR B 4 -8.827 3.033 11.721 1.00 0.00 O ATOM 1642 CB THR B 4 -11.919 3.533 10.937 1.00 0.00 C ATOM 1643 OG1 THR B 4 -11.825 2.374 10.126 1.00 0.00 O ATOM 1644 CG2 THR B 4 -11.445 4.711 10.109 1.00 0.00 C ATOM 0 HA THR B 4 -11.790 2.812 12.951 1.00 0.00 H new ATOM 0 HB THR B 4 -12.948 3.723 11.243 1.00 0.00 H new ATOM 0 HG1 THR B 4 -12.325 2.515 9.295 1.00 0.00 H new ATOM 0 HG21 THR B 4 -12.038 4.777 9.197 1.00 0.00 H new ATOM 0 HG22 THR B 4 -11.561 5.630 10.684 1.00 0.00 H new ATOM 0 HG23 THR B 4 -10.395 4.575 9.850 1.00 0.00 H new ATOM 1652 N GLU B 5 -10.057 1.204 12.173 1.00 0.00 N ATOM 1653 CA GLU B 5 -8.962 0.261 11.993 1.00 0.00 C ATOM 1654 C GLU B 5 -8.161 0.586 10.737 1.00 0.00 C ATOM 1655 O GLU B 5 -6.932 0.647 10.770 1.00 0.00 O ATOM 1656 CB GLU B 5 -9.533 -1.150 11.911 1.00 0.00 C ATOM 1657 CG GLU B 5 -8.736 -2.180 12.697 1.00 0.00 C ATOM 1658 CD GLU B 5 -9.621 -3.224 13.352 1.00 0.00 C ATOM 1659 OE1 GLU B 5 -10.151 -4.092 12.626 1.00 0.00 O ATOM 1660 OE2 GLU B 5 -9.783 -3.173 14.589 1.00 0.00 O ATOM 0 H GLU B 5 -10.945 0.768 12.424 1.00 0.00 H new ATOM 0 HA GLU B 5 -8.284 0.334 12.843 1.00 0.00 H new ATOM 0 HB2 GLU B 5 -10.559 -1.139 12.280 1.00 0.00 H new ATOM 0 HB3 GLU B 5 -9.573 -1.456 10.866 1.00 0.00 H new ATOM 0 HG2 GLU B 5 -8.030 -2.674 12.030 1.00 0.00 H new ATOM 0 HG3 GLU B 5 -8.150 -1.673 13.463 1.00 0.00 H new ATOM 1667 N THR B 6 -8.867 0.808 9.637 1.00 0.00 N ATOM 1668 CA THR B 6 -8.227 1.145 8.373 1.00 0.00 C ATOM 1669 C THR B 6 -7.492 2.475 8.492 1.00 0.00 C ATOM 1670 O THR B 6 -6.396 2.643 7.962 1.00 0.00 O ATOM 1671 CB THR B 6 -9.269 1.221 7.257 1.00 0.00 C ATOM 1672 OG1 THR B 6 -10.324 0.305 7.492 1.00 0.00 O ATOM 1673 CG2 THR B 6 -8.700 0.923 5.888 1.00 0.00 C ATOM 0 H THR B 6 -9.885 0.761 9.594 1.00 0.00 H new ATOM 0 HA THR B 6 -7.506 0.365 8.129 1.00 0.00 H new ATOM 0 HB THR B 6 -9.630 2.250 7.268 1.00 0.00 H new ATOM 0 HG1 THR B 6 -10.416 -0.292 6.721 1.00 0.00 H new ATOM 0 HG21 THR B 6 -9.491 0.994 5.142 1.00 0.00 H new ATOM 0 HG22 THR B 6 -7.916 1.644 5.655 1.00 0.00 H new ATOM 0 HG23 THR B 6 -8.282 -0.084 5.879 1.00 0.00 H new ATOM 1681 N GLU B 7 -8.100 3.419 9.202 1.00 0.00 N ATOM 1682 CA GLU B 7 -7.498 4.736 9.393 1.00 0.00 C ATOM 1683 C GLU B 7 -6.072 4.606 9.923 1.00 0.00 C ATOM 1684 O GLU B 7 -5.200 5.407 9.588 1.00 0.00 O ATOM 1685 CB GLU B 7 -8.342 5.572 10.362 1.00 0.00 C ATOM 1686 CG GLU B 7 -9.009 6.770 9.707 1.00 0.00 C ATOM 1687 CD GLU B 7 -8.149 8.017 9.760 1.00 0.00 C ATOM 1688 OE1 GLU B 7 -8.068 8.637 10.841 1.00 0.00 O ATOM 1689 OE2 GLU B 7 -7.557 8.374 8.720 1.00 0.00 O ATOM 0 H GLU B 7 -9.006 3.299 9.654 1.00 0.00 H new ATOM 0 HA GLU B 7 -7.465 5.239 8.427 1.00 0.00 H new ATOM 0 HB2 GLU B 7 -9.109 4.936 10.805 1.00 0.00 H new ATOM 0 HB3 GLU B 7 -7.707 5.920 11.177 1.00 0.00 H new ATOM 0 HG2 GLU B 7 -9.234 6.532 8.667 1.00 0.00 H new ATOM 0 HG3 GLU B 7 -9.960 6.968 10.202 1.00 0.00 H new ATOM 1696 N ARG B 8 -5.845 3.590 10.746 1.00 0.00 N ATOM 1697 CA ARG B 8 -4.526 3.350 11.318 1.00 0.00 C ATOM 1698 C ARG B 8 -3.612 2.656 10.312 1.00 0.00 C ATOM 1699 O ARG B 8 -2.423 2.962 10.226 1.00 0.00 O ATOM 1700 CB ARG B 8 -4.648 2.503 12.588 1.00 0.00 C ATOM 1701 CG ARG B 8 -4.367 3.279 13.864 1.00 0.00 C ATOM 1702 CD ARG B 8 -2.927 3.764 13.914 1.00 0.00 C ATOM 1703 NE ARG B 8 -2.554 4.232 15.246 1.00 0.00 N ATOM 1704 CZ ARG B 8 -2.227 3.424 16.252 1.00 0.00 C ATOM 1705 NH1 ARG B 8 -2.226 2.107 16.081 1.00 0.00 N ATOM 1706 NH2 ARG B 8 -1.901 3.932 17.432 1.00 0.00 N ATOM 0 H ARG B 8 -6.557 2.919 11.032 1.00 0.00 H new ATOM 0 HA ARG B 8 -4.085 4.314 11.572 1.00 0.00 H new ATOM 0 HB2 ARG B 8 -5.653 2.084 12.641 1.00 0.00 H new ATOM 0 HB3 ARG B 8 -3.956 1.663 12.523 1.00 0.00 H new ATOM 0 HG2 ARG B 8 -5.042 4.132 13.929 1.00 0.00 H new ATOM 0 HG3 ARG B 8 -4.569 2.646 14.728 1.00 0.00 H new ATOM 0 HD2 ARG B 8 -2.261 2.955 13.614 1.00 0.00 H new ATOM 0 HD3 ARG B 8 -2.791 4.572 13.195 1.00 0.00 H new ATOM 0 HE ARG B 8 -2.543 5.238 15.416 1.00 0.00 H new ATOM 0 HH11 ARG B 8 -2.477 1.710 15.175 1.00 0.00 H new ATOM 0 HH12 ARG B 8 -1.975 1.492 16.855 1.00 0.00 H new ATOM 0 HH21 ARG B 8 -1.901 4.943 17.570 1.00 0.00 H new ATOM 0 HH22 ARG B 8 -1.651 3.312 18.202 1.00 0.00 H new ATOM 1719 N CYS B 9 -4.171 1.713 9.559 1.00 0.00 N ATOM 1720 CA CYS B 9 -3.403 0.968 8.565 1.00 0.00 C ATOM 1721 C CYS B 9 -2.780 1.902 7.528 1.00 0.00 C ATOM 1722 O CYS B 9 -1.623 1.731 7.144 1.00 0.00 O ATOM 1723 CB CYS B 9 -4.288 -0.091 7.889 1.00 0.00 C ATOM 1724 SG CYS B 9 -5.302 0.509 6.515 1.00 0.00 S ATOM 0 H CYS B 9 -5.154 1.446 9.618 1.00 0.00 H new ATOM 0 HA CYS B 9 -2.587 0.460 9.079 1.00 0.00 H new ATOM 0 HB2 CYS B 9 -3.649 -0.895 7.523 1.00 0.00 H new ATOM 0 HB3 CYS B 9 -4.946 -0.525 8.642 1.00 0.00 H new ATOM 0 HG CYS B 9 -5.840 1.648 6.837 1.00 0.00 H new ATOM 1730 N ILE B 10 -3.550 2.885 7.077 1.00 0.00 N ATOM 1731 CA ILE B 10 -3.074 3.834 6.083 1.00 0.00 C ATOM 1732 C ILE B 10 -1.974 4.732 6.638 1.00 0.00 C ATOM 1733 O ILE B 10 -0.887 4.815 6.071 1.00 0.00 O ATOM 1734 CB ILE B 10 -4.225 4.724 5.573 1.00 0.00 C ATOM 1735 CG1 ILE B 10 -5.358 3.867 5.015 1.00 0.00 C ATOM 1736 CG2 ILE B 10 -3.725 5.691 4.511 1.00 0.00 C ATOM 1737 CD1 ILE B 10 -6.670 4.059 5.737 1.00 0.00 C ATOM 0 H ILE B 10 -4.509 3.044 7.386 1.00 0.00 H new ATOM 0 HA ILE B 10 -2.670 3.244 5.260 1.00 0.00 H new ATOM 0 HB ILE B 10 -4.607 5.301 6.415 1.00 0.00 H new ATOM 0 HG12 ILE B 10 -5.495 4.103 3.960 1.00 0.00 H new ATOM 0 HG13 ILE B 10 -5.071 2.817 5.072 1.00 0.00 H new ATOM 0 HG21 ILE B 10 -4.552 6.310 4.164 1.00 0.00 H new ATOM 0 HG22 ILE B 10 -2.949 6.328 4.935 1.00 0.00 H new ATOM 0 HG23 ILE B 10 -3.315 5.129 3.672 1.00 0.00 H new ATOM 0 HD11 ILE B 10 -7.430 3.419 5.288 1.00 0.00 H new ATOM 0 HD12 ILE B 10 -6.549 3.796 6.788 1.00 0.00 H new ATOM 0 HD13 ILE B 10 -6.980 5.101 5.658 1.00 0.00 H new ATOM 1749 N GLU B 11 -2.269 5.420 7.733 1.00 0.00 N ATOM 1750 CA GLU B 11 -1.314 6.340 8.345 1.00 0.00 C ATOM 1751 C GLU B 11 0.041 5.685 8.594 1.00 0.00 C ATOM 1752 O GLU B 11 1.066 6.365 8.631 1.00 0.00 O ATOM 1753 CB GLU B 11 -1.874 6.895 9.655 1.00 0.00 C ATOM 1754 CG GLU B 11 -1.803 8.411 9.742 1.00 0.00 C ATOM 1755 CD GLU B 11 -1.185 8.895 11.039 1.00 0.00 C ATOM 1756 OE1 GLU B 11 -1.898 8.922 12.064 1.00 0.00 O ATOM 1757 OE2 GLU B 11 0.013 9.249 11.029 1.00 0.00 O ATOM 0 H GLU B 11 -3.164 5.359 8.218 1.00 0.00 H new ATOM 0 HA GLU B 11 -1.159 7.157 7.640 1.00 0.00 H new ATOM 0 HB2 GLU B 11 -2.912 6.580 9.761 1.00 0.00 H new ATOM 0 HB3 GLU B 11 -1.322 6.463 10.490 1.00 0.00 H new ATOM 0 HG2 GLU B 11 -1.221 8.792 8.903 1.00 0.00 H new ATOM 0 HG3 GLU B 11 -2.807 8.824 9.647 1.00 0.00 H new ATOM 1764 N SER B 12 0.046 4.372 8.777 1.00 0.00 N ATOM 1765 CA SER B 12 1.288 3.656 9.037 1.00 0.00 C ATOM 1766 C SER B 12 2.176 3.571 7.792 1.00 0.00 C ATOM 1767 O SER B 12 3.337 3.972 7.831 1.00 0.00 O ATOM 1768 CB SER B 12 0.982 2.252 9.560 1.00 0.00 C ATOM 1769 OG SER B 12 -0.065 2.279 10.514 1.00 0.00 O ATOM 0 H SER B 12 -0.788 3.785 8.751 1.00 0.00 H new ATOM 0 HA SER B 12 1.838 4.217 9.792 1.00 0.00 H new ATOM 0 HB2 SER B 12 0.704 1.604 8.729 1.00 0.00 H new ATOM 0 HB3 SER B 12 1.878 1.825 10.011 1.00 0.00 H new ATOM 0 HG SER B 12 -0.929 2.238 10.053 1.00 0.00 H new ATOM 1775 N LEU B 13 1.637 3.035 6.698 1.00 0.00 N ATOM 1776 CA LEU B 13 2.399 2.880 5.461 1.00 0.00 C ATOM 1777 C LEU B 13 2.831 4.220 4.859 1.00 0.00 C ATOM 1778 O LEU B 13 3.853 4.307 4.179 1.00 0.00 O ATOM 1779 CB LEU B 13 1.574 2.088 4.455 1.00 0.00 C ATOM 1780 CG LEU B 13 1.831 0.583 4.467 1.00 0.00 C ATOM 1781 CD1 LEU B 13 3.278 0.291 4.122 1.00 0.00 C ATOM 1782 CD2 LEU B 13 1.489 -0.023 5.818 1.00 0.00 C ATOM 0 H LEU B 13 0.675 2.701 6.644 1.00 0.00 H new ATOM 0 HA LEU B 13 3.314 2.340 5.704 1.00 0.00 H new ATOM 0 HB2 LEU B 13 0.517 2.264 4.653 1.00 0.00 H new ATOM 0 HB3 LEU B 13 1.779 2.470 3.455 1.00 0.00 H new ATOM 0 HG LEU B 13 1.185 0.129 3.715 1.00 0.00 H new ATOM 0 HD11 LEU B 13 3.445 -0.786 4.135 1.00 0.00 H new ATOM 0 HD12 LEU B 13 3.501 0.681 3.129 1.00 0.00 H new ATOM 0 HD13 LEU B 13 3.930 0.768 4.854 1.00 0.00 H new ATOM 0 HD21 LEU B 13 1.682 -1.095 5.795 1.00 0.00 H new ATOM 0 HD22 LEU B 13 2.103 0.440 6.590 1.00 0.00 H new ATOM 0 HD23 LEU B 13 0.436 0.151 6.039 1.00 0.00 H new ATOM 1794 N ILE B 14 2.066 5.266 5.106 1.00 0.00 N ATOM 1795 CA ILE B 14 2.403 6.575 4.590 1.00 0.00 C ATOM 1796 C ILE B 14 3.609 7.131 5.301 1.00 0.00 C ATOM 1797 O ILE B 14 4.428 7.833 4.721 1.00 0.00 O ATOM 1798 CB ILE B 14 1.279 7.576 4.837 1.00 0.00 C ATOM 1799 CG1 ILE B 14 -0.068 7.011 4.451 1.00 0.00 C ATOM 1800 CG2 ILE B 14 1.552 8.857 4.097 1.00 0.00 C ATOM 1801 CD1 ILE B 14 -1.173 7.619 5.266 1.00 0.00 C ATOM 0 H ILE B 14 1.210 5.233 5.659 1.00 0.00 H new ATOM 0 HA ILE B 14 2.585 6.445 3.523 1.00 0.00 H new ATOM 0 HB ILE B 14 1.247 7.786 5.906 1.00 0.00 H new ATOM 0 HG12 ILE B 14 -0.251 7.195 3.392 1.00 0.00 H new ATOM 0 HG13 ILE B 14 -0.064 5.930 4.590 1.00 0.00 H new ATOM 0 HG21 ILE B 14 0.743 9.563 4.281 1.00 0.00 H new ATOM 0 HG22 ILE B 14 2.493 9.284 4.444 1.00 0.00 H new ATOM 0 HG23 ILE B 14 1.619 8.653 3.028 1.00 0.00 H new ATOM 0 HD11 ILE B 14 -2.128 7.190 4.962 1.00 0.00 H new ATOM 0 HD12 ILE B 14 -1.002 7.412 6.322 1.00 0.00 H new ATOM 0 HD13 ILE B 14 -1.192 8.697 5.106 1.00 0.00 H new ATOM 1813 N ALA B 15 3.663 6.843 6.583 1.00 0.00 N ATOM 1814 CA ALA B 15 4.703 7.343 7.445 1.00 0.00 C ATOM 1815 C ALA B 15 6.013 6.599 7.256 1.00 0.00 C ATOM 1816 O ALA B 15 7.086 7.198 7.340 1.00 0.00 O ATOM 1817 CB ALA B 15 4.195 7.289 8.864 1.00 0.00 C ATOM 0 H ALA B 15 2.980 6.251 7.056 1.00 0.00 H new ATOM 0 HA ALA B 15 4.935 8.376 7.187 1.00 0.00 H new ATOM 0 HB1 ALA B 15 4.964 7.663 9.540 1.00 0.00 H new ATOM 0 HB2 ALA B 15 3.301 7.906 8.954 1.00 0.00 H new ATOM 0 HB3 ALA B 15 3.952 6.259 9.125 1.00 0.00 H new ATOM 1823 N VAL B 16 5.938 5.309 6.945 1.00 0.00 N ATOM 1824 CA VAL B 16 7.138 4.538 6.687 1.00 0.00 C ATOM 1825 C VAL B 16 7.946 5.267 5.623 1.00 0.00 C ATOM 1826 O VAL B 16 9.173 5.345 5.681 1.00 0.00 O ATOM 1827 CB VAL B 16 6.788 3.133 6.171 1.00 0.00 C ATOM 1828 CG1 VAL B 16 5.907 2.399 7.158 1.00 0.00 C ATOM 1829 CG2 VAL B 16 6.089 3.232 4.835 1.00 0.00 C ATOM 0 H VAL B 16 5.067 4.784 6.867 1.00 0.00 H new ATOM 0 HA VAL B 16 7.705 4.433 7.612 1.00 0.00 H new ATOM 0 HB VAL B 16 7.715 2.572 6.053 1.00 0.00 H new ATOM 0 HG11 VAL B 16 5.673 1.408 6.770 1.00 0.00 H new ATOM 0 HG12 VAL B 16 6.429 2.302 8.110 1.00 0.00 H new ATOM 0 HG13 VAL B 16 4.983 2.958 7.306 1.00 0.00 H new ATOM 0 HG21 VAL B 16 5.845 2.232 4.477 1.00 0.00 H new ATOM 0 HG22 VAL B 16 5.172 3.811 4.946 1.00 0.00 H new ATOM 0 HG23 VAL B 16 6.745 3.724 4.117 1.00 0.00 H new ATOM 1839 N PHE B 17 7.209 5.817 4.659 1.00 0.00 N ATOM 1840 CA PHE B 17 7.797 6.575 3.561 1.00 0.00 C ATOM 1841 C PHE B 17 8.240 7.961 4.040 1.00 0.00 C ATOM 1842 O PHE B 17 9.410 8.323 3.916 1.00 0.00 O ATOM 1843 CB PHE B 17 6.781 6.689 2.415 1.00 0.00 C ATOM 1844 CG PHE B 17 7.009 7.846 1.480 1.00 0.00 C ATOM 1845 CD1 PHE B 17 6.524 9.107 1.789 1.00 0.00 C ATOM 1846 CD2 PHE B 17 7.699 7.672 0.292 1.00 0.00 C ATOM 1847 CE1 PHE B 17 6.724 10.171 0.930 1.00 0.00 C ATOM 1848 CE2 PHE B 17 7.902 8.733 -0.569 1.00 0.00 C ATOM 1849 CZ PHE B 17 7.415 9.984 -0.250 1.00 0.00 C ATOM 0 H PHE B 17 6.192 5.749 4.619 1.00 0.00 H new ATOM 0 HA PHE B 17 8.681 6.052 3.197 1.00 0.00 H new ATOM 0 HB2 PHE B 17 6.801 5.765 1.838 1.00 0.00 H new ATOM 0 HB3 PHE B 17 5.782 6.777 2.842 1.00 0.00 H new ATOM 0 HD1 PHE B 17 5.984 9.260 2.712 1.00 0.00 H new ATOM 0 HD2 PHE B 17 8.083 6.696 0.036 1.00 0.00 H new ATOM 0 HE1 PHE B 17 6.340 11.148 1.182 1.00 0.00 H new ATOM 0 HE2 PHE B 17 8.442 8.583 -1.492 1.00 0.00 H new ATOM 0 HZ PHE B 17 7.574 10.815 -0.922 1.00 0.00 H new ATOM 1859 N GLN B 18 7.297 8.733 4.582 1.00 0.00 N ATOM 1860 CA GLN B 18 7.585 10.086 5.069 1.00 0.00 C ATOM 1861 C GLN B 18 8.814 10.124 5.970 1.00 0.00 C ATOM 1862 O GLN B 18 9.507 11.140 6.032 1.00 0.00 O ATOM 1863 CB GLN B 18 6.396 10.647 5.857 1.00 0.00 C ATOM 1864 CG GLN B 18 5.049 10.396 5.211 1.00 0.00 C ATOM 1865 CD GLN B 18 4.641 11.508 4.278 1.00 0.00 C ATOM 1866 OE1 GLN B 18 5.446 11.720 3.247 1.00 0.00 O flip ATOM 1867 NE2 GLN B 18 3.620 12.167 4.476 1.00 0.00 N flip ATOM 0 H GLN B 18 6.325 8.445 4.696 1.00 0.00 H new ATOM 0 HA GLN B 18 7.775 10.694 4.185 1.00 0.00 H new ATOM 0 HB2 GLN B 18 6.396 10.207 6.854 1.00 0.00 H new ATOM 0 HB3 GLN B 18 6.532 11.721 5.982 1.00 0.00 H new ATOM 0 HG2 GLN B 18 5.084 9.457 4.659 1.00 0.00 H new ATOM 0 HG3 GLN B 18 4.293 10.281 5.988 1.00 0.00 H new ATOM 0 HE21 GLN B 18 3.032 11.966 5.285 1.00 0.00 H new ATOM 0 HE22 GLN B 18 3.362 12.914 3.831 1.00 0.00 H new ATOM 1876 N LYS B 19 9.076 9.038 6.685 1.00 0.00 N ATOM 1877 CA LYS B 19 10.219 9.004 7.588 1.00 0.00 C ATOM 1878 C LYS B 19 11.518 9.292 6.841 1.00 0.00 C ATOM 1879 O LYS B 19 12.274 10.186 7.221 1.00 0.00 O ATOM 1880 CB LYS B 19 10.306 7.641 8.278 1.00 0.00 C ATOM 1881 CG LYS B 19 11.027 7.679 9.615 1.00 0.00 C ATOM 1882 CD LYS B 19 10.398 8.691 10.561 1.00 0.00 C ATOM 1883 CE LYS B 19 11.255 9.939 10.693 1.00 0.00 C ATOM 1884 NZ LYS B 19 10.657 10.926 11.633 1.00 0.00 N ATOM 0 H LYS B 19 8.523 8.182 6.659 1.00 0.00 H new ATOM 0 HA LYS B 19 10.078 9.780 8.341 1.00 0.00 H new ATOM 0 HB2 LYS B 19 9.298 7.255 8.430 1.00 0.00 H new ATOM 0 HB3 LYS B 19 10.819 6.941 7.618 1.00 0.00 H new ATOM 0 HG2 LYS B 19 11.002 6.689 10.071 1.00 0.00 H new ATOM 0 HG3 LYS B 19 12.076 7.931 9.457 1.00 0.00 H new ATOM 0 HD2 LYS B 19 9.408 8.965 10.196 1.00 0.00 H new ATOM 0 HD3 LYS B 19 10.261 8.237 11.542 1.00 0.00 H new ATOM 0 HE2 LYS B 19 12.249 9.661 11.042 1.00 0.00 H new ATOM 0 HE3 LYS B 19 11.379 10.400 9.713 1.00 0.00 H new ATOM 0 HZ1 LYS B 19 11.272 11.763 11.695 1.00 0.00 H new ATOM 0 HZ2 LYS B 19 9.719 11.211 11.287 1.00 0.00 H new ATOM 0 HZ3 LYS B 19 10.562 10.495 12.575 1.00 0.00 H new ATOM 1898 N TYR B 20 11.758 8.557 5.761 1.00 0.00 N ATOM 1899 CA TYR B 20 12.947 8.771 4.949 1.00 0.00 C ATOM 1900 C TYR B 20 12.725 9.941 4.007 1.00 0.00 C ATOM 1901 O TYR B 20 13.560 10.837 3.878 1.00 0.00 O ATOM 1902 CB TYR B 20 13.309 7.507 4.170 1.00 0.00 C ATOM 1903 CG TYR B 20 14.174 6.548 4.957 1.00 0.00 C ATOM 1904 CD1 TYR B 20 13.633 5.768 5.973 1.00 0.00 C ATOM 1905 CD2 TYR B 20 15.531 6.426 4.689 1.00 0.00 C ATOM 1906 CE1 TYR B 20 14.423 4.895 6.698 1.00 0.00 C ATOM 1907 CE2 TYR B 20 16.326 5.553 5.409 1.00 0.00 C ATOM 1908 CZ TYR B 20 15.767 4.791 6.412 1.00 0.00 C ATOM 1909 OH TYR B 20 16.557 3.924 7.133 1.00 0.00 O ATOM 0 H TYR B 20 11.147 7.811 5.429 1.00 0.00 H new ATOM 0 HA TYR B 20 13.783 9.005 5.608 1.00 0.00 H new ATOM 0 HB2 TYR B 20 12.393 6.998 3.871 1.00 0.00 H new ATOM 0 HB3 TYR B 20 13.830 7.789 3.255 1.00 0.00 H new ATOM 0 HD1 TYR B 20 12.580 5.845 6.199 1.00 0.00 H new ATOM 0 HD2 TYR B 20 15.973 7.023 3.905 1.00 0.00 H new ATOM 0 HE1 TYR B 20 13.988 4.297 7.485 1.00 0.00 H new ATOM 0 HE2 TYR B 20 17.379 5.469 5.186 1.00 0.00 H new ATOM 0 HH TYR B 20 16.200 3.834 8.041 1.00 0.00 H new ATOM 1919 N ALA B 21 11.575 9.899 3.347 1.00 0.00 N ATOM 1920 CA ALA B 21 11.174 10.917 2.391 1.00 0.00 C ATOM 1921 C ALA B 21 11.158 12.306 3.022 1.00 0.00 C ATOM 1922 O ALA B 21 11.297 13.314 2.328 1.00 0.00 O ATOM 1923 CB ALA B 21 9.803 10.558 1.842 1.00 0.00 C ATOM 0 H ALA B 21 10.891 9.151 3.462 1.00 0.00 H new ATOM 0 HA ALA B 21 11.901 10.947 1.580 1.00 0.00 H new ATOM 0 HB1 ALA B 21 9.490 11.315 1.123 1.00 0.00 H new ATOM 0 HB2 ALA B 21 9.851 9.587 1.350 1.00 0.00 H new ATOM 0 HB3 ALA B 21 9.084 10.515 2.660 1.00 0.00 H new ATOM 1929 N GLY B 22 10.985 12.355 4.338 1.00 0.00 N ATOM 1930 CA GLY B 22 10.951 13.627 5.035 1.00 0.00 C ATOM 1931 C GLY B 22 9.536 14.117 5.274 1.00 0.00 C ATOM 1932 O GLY B 22 8.604 13.702 4.585 1.00 0.00 O ATOM 0 H GLY B 22 10.868 11.536 4.935 1.00 0.00 H new ATOM 0 HA2 GLY B 22 11.465 13.528 5.991 1.00 0.00 H new ATOM 0 HA3 GLY B 22 11.497 14.371 4.455 1.00 0.00 H new ATOM 2006 N VAL B 28 7.520 14.991 -1.435 1.00 0.00 N ATOM 2007 CA VAL B 28 6.672 14.315 -2.410 1.00 0.00 C ATOM 2008 C VAL B 28 7.283 12.993 -2.864 1.00 0.00 C ATOM 2009 O VAL B 28 6.592 12.142 -3.424 1.00 0.00 O ATOM 2010 CB VAL B 28 6.423 15.200 -3.645 1.00 0.00 C ATOM 2011 CG1 VAL B 28 5.514 16.367 -3.294 1.00 0.00 C ATOM 2012 CG2 VAL B 28 7.741 15.695 -4.221 1.00 0.00 C ATOM 0 HA VAL B 28 5.723 14.116 -1.911 1.00 0.00 H new ATOM 0 HB VAL B 28 5.924 14.599 -4.405 1.00 0.00 H new ATOM 0 HG11 VAL B 28 5.350 16.980 -4.180 1.00 0.00 H new ATOM 0 HG12 VAL B 28 4.558 15.988 -2.934 1.00 0.00 H new ATOM 0 HG13 VAL B 28 5.981 16.971 -2.516 1.00 0.00 H new ATOM 0 HG21 VAL B 28 7.545 16.319 -5.093 1.00 0.00 H new ATOM 0 HG22 VAL B 28 8.270 16.279 -3.468 1.00 0.00 H new ATOM 0 HG23 VAL B 28 8.353 14.842 -4.515 1.00 0.00 H new ATOM 2022 N THR B 29 8.582 12.823 -2.625 1.00 0.00 N ATOM 2023 CA THR B 29 9.271 11.602 -3.019 1.00 0.00 C ATOM 2024 C THR B 29 10.251 11.151 -1.942 1.00 0.00 C ATOM 2025 O THR B 29 10.402 11.800 -0.906 1.00 0.00 O ATOM 2026 CB THR B 29 10.009 11.811 -4.341 1.00 0.00 C ATOM 2027 OG1 THR B 29 10.738 13.025 -4.324 1.00 0.00 O ATOM 2028 CG2 THR B 29 9.088 11.843 -5.541 1.00 0.00 C ATOM 0 H THR B 29 9.174 13.513 -2.163 1.00 0.00 H new ATOM 0 HA THR B 29 8.521 10.821 -3.148 1.00 0.00 H new ATOM 0 HB THR B 29 10.676 10.954 -4.438 1.00 0.00 H new ATOM 0 HG1 THR B 29 11.204 13.139 -5.178 1.00 0.00 H new ATOM 0 HG21 THR B 29 9.675 11.994 -6.447 1.00 0.00 H new ATOM 0 HG22 THR B 29 8.549 10.898 -5.612 1.00 0.00 H new ATOM 0 HG23 THR B 29 8.375 12.660 -5.431 1.00 0.00 H new ATOM 2036 N LEU B 30 10.911 10.029 -2.199 1.00 0.00 N ATOM 2037 CA LEU B 30 11.880 9.466 -1.267 1.00 0.00 C ATOM 2038 C LEU B 30 13.229 9.255 -1.976 1.00 0.00 C ATOM 2039 O LEU B 30 13.856 10.220 -2.410 1.00 0.00 O ATOM 2040 CB LEU B 30 11.319 8.154 -0.690 1.00 0.00 C ATOM 2041 CG LEU B 30 11.663 7.875 0.773 1.00 0.00 C ATOM 2042 CD1 LEU B 30 10.785 6.759 1.323 1.00 0.00 C ATOM 2043 CD2 LEU B 30 13.132 7.519 0.923 1.00 0.00 C ATOM 0 H LEU B 30 10.791 9.486 -3.054 1.00 0.00 H new ATOM 0 HA LEU B 30 12.054 10.154 -0.440 1.00 0.00 H new ATOM 0 HB2 LEU B 30 10.234 8.167 -0.793 1.00 0.00 H new ATOM 0 HB3 LEU B 30 11.687 7.325 -1.295 1.00 0.00 H new ATOM 0 HG LEU B 30 11.472 8.781 1.347 1.00 0.00 H new ATOM 0 HD11 LEU B 30 11.043 6.573 2.366 1.00 0.00 H new ATOM 0 HD12 LEU B 30 9.738 7.053 1.255 1.00 0.00 H new ATOM 0 HD13 LEU B 30 10.945 5.851 0.742 1.00 0.00 H new ATOM 0 HD21 LEU B 30 13.354 7.325 1.972 1.00 0.00 H new ATOM 0 HD22 LEU B 30 13.353 6.628 0.334 1.00 0.00 H new ATOM 0 HD23 LEU B 30 13.745 8.348 0.570 1.00 0.00 H new ATOM 2055 N SER B 31 13.660 7.999 -2.110 1.00 0.00 N ATOM 2056 CA SER B 31 14.909 7.670 -2.782 1.00 0.00 C ATOM 2057 C SER B 31 15.169 6.173 -2.685 1.00 0.00 C ATOM 2058 O SER B 31 15.107 5.593 -1.602 1.00 0.00 O ATOM 2059 CB SER B 31 16.080 8.446 -2.178 1.00 0.00 C ATOM 2060 OG SER B 31 17.292 8.143 -2.846 1.00 0.00 O ATOM 0 H SER B 31 13.152 7.188 -1.756 1.00 0.00 H new ATOM 0 HA SER B 31 14.819 7.955 -3.830 1.00 0.00 H new ATOM 0 HB2 SER B 31 15.883 9.516 -2.243 1.00 0.00 H new ATOM 0 HB3 SER B 31 16.174 8.203 -1.120 1.00 0.00 H new ATOM 0 HG SER B 31 18.025 8.653 -2.442 1.00 0.00 H new ATOM 2066 N LYS B 32 15.449 5.551 -3.823 1.00 0.00 N ATOM 2067 CA LYS B 32 15.706 4.116 -3.864 1.00 0.00 C ATOM 2068 C LYS B 32 16.733 3.716 -2.808 1.00 0.00 C ATOM 2069 O LYS B 32 16.642 2.641 -2.214 1.00 0.00 O ATOM 2070 CB LYS B 32 16.199 3.703 -5.253 1.00 0.00 C ATOM 2071 CG LYS B 32 17.180 4.689 -5.869 1.00 0.00 C ATOM 2072 CD LYS B 32 16.539 5.491 -6.990 1.00 0.00 C ATOM 2073 CE LYS B 32 16.343 4.644 -8.237 1.00 0.00 C ATOM 2074 NZ LYS B 32 17.625 4.405 -8.954 1.00 0.00 N ATOM 0 H LYS B 32 15.504 6.016 -4.729 1.00 0.00 H new ATOM 0 HA LYS B 32 14.770 3.599 -3.650 1.00 0.00 H new ATOM 0 HB2 LYS B 32 16.675 2.725 -5.184 1.00 0.00 H new ATOM 0 HB3 LYS B 32 15.341 3.594 -5.916 1.00 0.00 H new ATOM 0 HG2 LYS B 32 17.546 5.368 -5.099 1.00 0.00 H new ATOM 0 HG3 LYS B 32 18.045 4.149 -6.256 1.00 0.00 H new ATOM 0 HD2 LYS B 32 15.576 5.879 -6.657 1.00 0.00 H new ATOM 0 HD3 LYS B 32 17.165 6.351 -7.227 1.00 0.00 H new ATOM 0 HE2 LYS B 32 15.898 3.688 -7.960 1.00 0.00 H new ATOM 0 HE3 LYS B 32 15.640 5.140 -8.906 1.00 0.00 H new ATOM 0 HZ1 LYS B 32 17.431 3.957 -9.872 1.00 0.00 H new ATOM 0 HZ2 LYS B 32 18.112 5.311 -9.106 1.00 0.00 H new ATOM 0 HZ3 LYS B 32 18.230 3.779 -8.385 1.00 0.00 H new ATOM 2088 N THR B 33 17.707 4.590 -2.578 1.00 0.00 N ATOM 2089 CA THR B 33 18.746 4.336 -1.597 1.00 0.00 C ATOM 2090 C THR B 33 18.205 4.495 -0.177 1.00 0.00 C ATOM 2091 O THR B 33 18.480 3.673 0.692 1.00 0.00 O ATOM 2092 CB THR B 33 19.929 5.279 -1.835 1.00 0.00 C ATOM 2093 OG1 THR B 33 20.857 4.700 -2.735 1.00 0.00 O ATOM 2094 CG2 THR B 33 20.680 5.638 -0.574 1.00 0.00 C ATOM 0 H THR B 33 17.795 5.483 -3.062 1.00 0.00 H new ATOM 0 HA THR B 33 19.088 3.307 -1.710 1.00 0.00 H new ATOM 0 HB THR B 33 19.490 6.189 -2.245 1.00 0.00 H new ATOM 0 HG1 THR B 33 21.605 5.318 -2.876 1.00 0.00 H new ATOM 0 HG21 THR B 33 21.504 6.308 -0.819 1.00 0.00 H new ATOM 0 HG22 THR B 33 20.004 6.134 0.123 1.00 0.00 H new ATOM 0 HG23 THR B 33 21.074 4.731 -0.115 1.00 0.00 H new ATOM 2102 N GLU B 34 17.432 5.549 0.062 1.00 0.00 N ATOM 2103 CA GLU B 34 16.869 5.771 1.389 1.00 0.00 C ATOM 2104 C GLU B 34 16.016 4.578 1.802 1.00 0.00 C ATOM 2105 O GLU B 34 15.894 4.265 2.986 1.00 0.00 O ATOM 2106 CB GLU B 34 16.042 7.054 1.425 1.00 0.00 C ATOM 2107 CG GLU B 34 16.828 8.255 1.925 1.00 0.00 C ATOM 2108 CD GLU B 34 16.900 9.375 0.905 1.00 0.00 C ATOM 2109 OE1 GLU B 34 15.834 9.807 0.419 1.00 0.00 O ATOM 2110 OE2 GLU B 34 18.025 9.822 0.593 1.00 0.00 O ATOM 0 H GLU B 34 17.184 6.253 -0.633 1.00 0.00 H new ATOM 0 HA GLU B 34 17.691 5.880 2.096 1.00 0.00 H new ATOM 0 HB2 GLU B 34 15.665 7.265 0.424 1.00 0.00 H new ATOM 0 HB3 GLU B 34 15.174 6.902 2.067 1.00 0.00 H new ATOM 0 HG2 GLU B 34 16.367 8.631 2.839 1.00 0.00 H new ATOM 0 HG3 GLU B 34 17.839 7.940 2.184 1.00 0.00 H new ATOM 2117 N PHE B 35 15.447 3.904 0.809 1.00 0.00 N ATOM 2118 CA PHE B 35 14.626 2.728 1.054 1.00 0.00 C ATOM 2119 C PHE B 35 15.502 1.569 1.520 1.00 0.00 C ATOM 2120 O PHE B 35 15.052 0.688 2.252 1.00 0.00 O ATOM 2121 CB PHE B 35 13.869 2.335 -0.216 1.00 0.00 C ATOM 2122 CG PHE B 35 12.732 1.387 0.033 1.00 0.00 C ATOM 2123 CD1 PHE B 35 11.647 1.775 0.800 1.00 0.00 C ATOM 2124 CD2 PHE B 35 12.749 0.109 -0.503 1.00 0.00 C ATOM 2125 CE1 PHE B 35 10.599 0.907 1.031 1.00 0.00 C ATOM 2126 CE2 PHE B 35 11.702 -0.765 -0.274 1.00 0.00 C ATOM 2127 CZ PHE B 35 10.626 -0.366 0.493 1.00 0.00 C ATOM 0 H PHE B 35 15.541 4.154 -0.175 1.00 0.00 H new ATOM 0 HA PHE B 35 13.902 2.962 1.834 1.00 0.00 H new ATOM 0 HB2 PHE B 35 13.483 3.236 -0.692 1.00 0.00 H new ATOM 0 HB3 PHE B 35 14.566 1.877 -0.918 1.00 0.00 H new ATOM 0 HD1 PHE B 35 11.620 2.769 1.223 1.00 0.00 H new ATOM 0 HD2 PHE B 35 13.588 -0.207 -1.105 1.00 0.00 H new ATOM 0 HE1 PHE B 35 9.759 1.222 1.632 1.00 0.00 H new ATOM 0 HE2 PHE B 35 11.726 -1.759 -0.695 1.00 0.00 H new ATOM 0 HZ PHE B 35 9.807 -1.047 0.672 1.00 0.00 H new ATOM 2137 N LEU B 36 16.762 1.586 1.088 1.00 0.00 N ATOM 2138 CA LEU B 36 17.718 0.550 1.454 1.00 0.00 C ATOM 2139 C LEU B 36 17.841 0.431 2.953 1.00 0.00 C ATOM 2140 O LEU B 36 17.623 -0.630 3.538 1.00 0.00 O ATOM 2141 CB LEU B 36 19.097 0.898 0.902 1.00 0.00 C ATOM 2142 CG LEU B 36 19.445 0.225 -0.404 1.00 0.00 C ATOM 2143 CD1 LEU B 36 19.490 -1.278 -0.205 1.00 0.00 C ATOM 2144 CD2 LEU B 36 18.438 0.617 -1.471 1.00 0.00 C ATOM 0 H LEU B 36 17.143 2.312 0.481 1.00 0.00 H new ATOM 0 HA LEU B 36 17.358 -0.391 1.038 1.00 0.00 H new ATOM 0 HB2 LEU B 36 19.156 1.978 0.765 1.00 0.00 H new ATOM 0 HB3 LEU B 36 19.848 0.629 1.644 1.00 0.00 H new ATOM 0 HG LEU B 36 20.429 0.552 -0.739 1.00 0.00 H new ATOM 0 HD11 LEU B 36 19.741 -1.763 -1.148 1.00 0.00 H new ATOM 0 HD12 LEU B 36 20.245 -1.524 0.542 1.00 0.00 H new ATOM 0 HD13 LEU B 36 18.516 -1.629 0.135 1.00 0.00 H new ATOM 0 HD21 LEU B 36 18.695 0.128 -2.411 1.00 0.00 H new ATOM 0 HD22 LEU B 36 17.440 0.306 -1.161 1.00 0.00 H new ATOM 0 HD23 LEU B 36 18.455 1.698 -1.608 1.00 0.00 H new ATOM 2156 N SER B 37 18.225 1.536 3.560 1.00 0.00 N ATOM 2157 CA SER B 37 18.424 1.584 4.994 1.00 0.00 C ATOM 2158 C SER B 37 17.168 1.151 5.746 1.00 0.00 C ATOM 2159 O SER B 37 17.245 0.384 6.703 1.00 0.00 O ATOM 2160 CB SER B 37 18.843 2.988 5.431 1.00 0.00 C ATOM 2161 OG SER B 37 20.245 3.159 5.324 1.00 0.00 O ATOM 0 H SER B 37 18.406 2.417 3.079 1.00 0.00 H new ATOM 0 HA SER B 37 19.222 0.884 5.240 1.00 0.00 H new ATOM 0 HB2 SER B 37 18.335 3.730 4.815 1.00 0.00 H new ATOM 0 HB3 SER B 37 18.530 3.160 6.461 1.00 0.00 H new ATOM 0 HG SER B 37 20.487 4.065 5.608 1.00 0.00 H new ATOM 2167 N PHE B 38 16.013 1.645 5.304 1.00 0.00 N ATOM 2168 CA PHE B 38 14.745 1.303 5.941 1.00 0.00 C ATOM 2169 C PHE B 38 14.526 -0.205 5.941 1.00 0.00 C ATOM 2170 O PHE B 38 13.869 -0.748 6.829 1.00 0.00 O ATOM 2171 CB PHE B 38 13.582 1.996 5.227 1.00 0.00 C ATOM 2172 CG PHE B 38 12.267 1.843 5.940 1.00 0.00 C ATOM 2173 CD1 PHE B 38 11.632 0.612 5.993 1.00 0.00 C ATOM 2174 CD2 PHE B 38 11.669 2.928 6.560 1.00 0.00 C ATOM 2175 CE1 PHE B 38 10.425 0.468 6.651 1.00 0.00 C ATOM 2176 CE2 PHE B 38 10.462 2.790 7.219 1.00 0.00 C ATOM 2177 CZ PHE B 38 9.840 1.558 7.263 1.00 0.00 C ATOM 0 H PHE B 38 15.930 2.281 4.511 1.00 0.00 H new ATOM 0 HA PHE B 38 14.785 1.649 6.974 1.00 0.00 H new ATOM 0 HB2 PHE B 38 13.809 3.057 5.123 1.00 0.00 H new ATOM 0 HB3 PHE B 38 13.490 1.590 4.220 1.00 0.00 H new ATOM 0 HD1 PHE B 38 12.085 -0.244 5.515 1.00 0.00 H new ATOM 0 HD2 PHE B 38 12.152 3.893 6.528 1.00 0.00 H new ATOM 0 HE1 PHE B 38 9.940 -0.496 6.686 1.00 0.00 H new ATOM 0 HE2 PHE B 38 10.006 3.644 7.698 1.00 0.00 H new ATOM 0 HZ PHE B 38 8.896 1.447 7.776 1.00 0.00 H new ATOM 2187 N MET B 39 15.085 -0.876 4.941 1.00 0.00 N ATOM 2188 CA MET B 39 14.955 -2.324 4.825 1.00 0.00 C ATOM 2189 C MET B 39 15.877 -3.029 5.815 1.00 0.00 C ATOM 2190 O MET B 39 15.503 -4.021 6.434 1.00 0.00 O ATOM 2191 CB MET B 39 15.283 -2.768 3.397 1.00 0.00 C ATOM 2192 CG MET B 39 14.533 -4.016 2.958 1.00 0.00 C ATOM 2193 SD MET B 39 13.172 -3.651 1.832 1.00 0.00 S ATOM 2194 CE MET B 39 11.961 -2.986 2.970 1.00 0.00 C ATOM 0 H MET B 39 15.633 -0.441 4.199 1.00 0.00 H new ATOM 0 HA MET B 39 13.925 -2.597 5.057 1.00 0.00 H new ATOM 0 HB2 MET B 39 15.050 -1.954 2.710 1.00 0.00 H new ATOM 0 HB3 MET B 39 16.354 -2.953 3.320 1.00 0.00 H new ATOM 0 HG2 MET B 39 15.228 -4.700 2.471 1.00 0.00 H new ATOM 0 HG3 MET B 39 14.144 -4.529 3.837 1.00 0.00 H new ATOM 0 HE1 MET B 39 11.208 -2.428 2.414 1.00 0.00 H new ATOM 0 HE2 MET B 39 11.482 -3.803 3.510 1.00 0.00 H new ATOM 0 HE3 MET B 39 12.455 -2.322 3.680 1.00 0.00 H new ATOM 2204 N ASN B 40 17.090 -2.514 5.949 1.00 0.00 N ATOM 2205 CA ASN B 40 18.077 -3.093 6.852 1.00 0.00 C ATOM 2206 C ASN B 40 17.756 -2.806 8.322 1.00 0.00 C ATOM 2207 O ASN B 40 18.283 -3.471 9.214 1.00 0.00 O ATOM 2208 CB ASN B 40 19.471 -2.562 6.513 1.00 0.00 C ATOM 2209 CG ASN B 40 20.030 -3.176 5.244 1.00 0.00 C ATOM 2210 OD1 ASN B 40 20.458 -4.330 5.237 1.00 0.00 O ATOM 2211 ND2 ASN B 40 20.028 -2.407 4.162 1.00 0.00 N ATOM 0 H ASN B 40 17.417 -1.692 5.441 1.00 0.00 H new ATOM 0 HA ASN B 40 18.048 -4.174 6.714 1.00 0.00 H new ATOM 0 HB2 ASN B 40 19.427 -1.479 6.401 1.00 0.00 H new ATOM 0 HB3 ASN B 40 20.147 -2.769 7.342 1.00 0.00 H new ATOM 0 HD21 ASN B 40 20.391 -2.767 3.280 1.00 0.00 H new ATOM 0 HD22 ASN B 40 19.663 -1.456 4.213 1.00 0.00 H new ATOM 2218 N THR B 41 16.928 -1.794 8.578 1.00 0.00 N ATOM 2219 CA THR B 41 16.600 -1.420 9.955 1.00 0.00 C ATOM 2220 C THR B 41 15.270 -1.988 10.453 1.00 0.00 C ATOM 2221 O THR B 41 15.241 -2.780 11.395 1.00 0.00 O ATOM 2222 CB THR B 41 16.577 0.109 10.117 1.00 0.00 C ATOM 2223 OG1 THR B 41 15.912 0.475 11.312 1.00 0.00 O ATOM 2224 CG2 THR B 41 15.899 0.844 8.980 1.00 0.00 C ATOM 0 H THR B 41 16.477 -1.225 7.862 1.00 0.00 H new ATOM 0 HA THR B 41 17.390 -1.859 10.564 1.00 0.00 H new ATOM 0 HB THR B 41 17.627 0.400 10.131 1.00 0.00 H new ATOM 0 HG1 THR B 41 15.909 1.451 11.399 1.00 0.00 H new ATOM 0 HG21 THR B 41 15.926 1.917 9.173 1.00 0.00 H new ATOM 0 HG22 THR B 41 16.419 0.630 8.047 1.00 0.00 H new ATOM 0 HG23 THR B 41 14.863 0.516 8.901 1.00 0.00 H new ATOM 2232 N GLU B 42 14.171 -1.526 9.871 1.00 0.00 N ATOM 2233 CA GLU B 42 12.841 -1.933 10.315 1.00 0.00 C ATOM 2234 C GLU B 42 12.252 -3.080 9.496 1.00 0.00 C ATOM 2235 O GLU B 42 11.349 -3.775 9.961 1.00 0.00 O ATOM 2236 CB GLU B 42 11.903 -0.721 10.278 1.00 0.00 C ATOM 2237 CG GLU B 42 12.628 0.623 10.345 1.00 0.00 C ATOM 2238 CD GLU B 42 11.968 1.592 11.306 1.00 0.00 C ATOM 2239 OE1 GLU B 42 10.742 1.474 11.520 1.00 0.00 O ATOM 2240 OE2 GLU B 42 12.675 2.470 11.843 1.00 0.00 O ATOM 0 H GLU B 42 14.172 -0.869 9.091 1.00 0.00 H new ATOM 0 HA GLU B 42 12.943 -2.308 11.333 1.00 0.00 H new ATOM 0 HB2 GLU B 42 11.312 -0.759 9.363 1.00 0.00 H new ATOM 0 HB3 GLU B 42 11.205 -0.788 11.112 1.00 0.00 H new ATOM 0 HG2 GLU B 42 13.661 0.460 10.651 1.00 0.00 H new ATOM 0 HG3 GLU B 42 12.657 1.066 9.350 1.00 0.00 H new ATOM 2247 N LEU B 43 12.752 -3.284 8.285 1.00 0.00 N ATOM 2248 CA LEU B 43 12.249 -4.358 7.434 1.00 0.00 C ATOM 2249 C LEU B 43 13.366 -5.326 7.077 1.00 0.00 C ATOM 2250 O LEU B 43 13.525 -5.716 5.920 1.00 0.00 O ATOM 2251 CB LEU B 43 11.612 -3.782 6.168 1.00 0.00 C ATOM 2252 CG LEU B 43 10.190 -3.248 6.350 1.00 0.00 C ATOM 2253 CD1 LEU B 43 9.711 -2.565 5.079 1.00 0.00 C ATOM 2254 CD2 LEU B 43 9.244 -4.373 6.743 1.00 0.00 C ATOM 0 H LEU B 43 13.499 -2.726 7.871 1.00 0.00 H new ATOM 0 HA LEU B 43 11.485 -4.906 7.986 1.00 0.00 H new ATOM 0 HB2 LEU B 43 12.243 -2.975 5.796 1.00 0.00 H new ATOM 0 HB3 LEU B 43 11.599 -4.556 5.401 1.00 0.00 H new ATOM 0 HG LEU B 43 10.198 -2.511 7.153 1.00 0.00 H new ATOM 0 HD11 LEU B 43 8.698 -2.191 5.226 1.00 0.00 H new ATOM 0 HD12 LEU B 43 10.374 -1.733 4.841 1.00 0.00 H new ATOM 0 HD13 LEU B 43 9.718 -3.281 4.257 1.00 0.00 H new ATOM 0 HD21 LEU B 43 8.237 -3.975 6.868 1.00 0.00 H new ATOM 0 HD22 LEU B 43 9.239 -5.134 5.962 1.00 0.00 H new ATOM 0 HD23 LEU B 43 9.577 -4.818 7.681 1.00 0.00 H new ATOM 2266 N ALA B 44 14.143 -5.701 8.085 1.00 0.00 N ATOM 2267 CA ALA B 44 15.258 -6.618 7.898 1.00 0.00 C ATOM 2268 C ALA B 44 14.776 -8.062 7.857 1.00 0.00 C ATOM 2269 O ALA B 44 15.351 -8.898 7.162 1.00 0.00 O ATOM 2270 CB ALA B 44 16.281 -6.426 9.005 1.00 0.00 C ATOM 0 H ALA B 44 14.020 -5.381 9.046 1.00 0.00 H new ATOM 0 HA ALA B 44 15.730 -6.397 6.941 1.00 0.00 H new ATOM 0 HB1 ALA B 44 17.111 -7.116 8.857 1.00 0.00 H new ATOM 0 HB2 ALA B 44 16.652 -5.401 8.983 1.00 0.00 H new ATOM 0 HB3 ALA B 44 15.814 -6.622 9.970 1.00 0.00 H new ATOM 2276 N ALA B 45 13.711 -8.347 8.598 1.00 0.00 N ATOM 2277 CA ALA B 45 13.146 -9.690 8.637 1.00 0.00 C ATOM 2278 C ALA B 45 12.757 -10.154 7.236 1.00 0.00 C ATOM 2279 O ALA B 45 12.680 -11.353 6.968 1.00 0.00 O ATOM 2280 CB ALA B 45 11.943 -9.725 9.567 1.00 0.00 C ATOM 0 H ALA B 45 13.222 -7.666 9.179 1.00 0.00 H new ATOM 0 HA ALA B 45 13.903 -10.374 9.020 1.00 0.00 H new ATOM 0 HB1 ALA B 45 11.529 -10.733 9.588 1.00 0.00 H new ATOM 0 HB2 ALA B 45 12.252 -9.438 10.572 1.00 0.00 H new ATOM 0 HB3 ALA B 45 11.185 -9.029 9.208 1.00 0.00 H new ATOM 2286 N PHE B 46 12.518 -9.194 6.348 1.00 0.00 N ATOM 2287 CA PHE B 46 12.142 -9.496 4.971 1.00 0.00 C ATOM 2288 C PHE B 46 13.375 -9.606 4.073 1.00 0.00 C ATOM 2289 O PHE B 46 13.274 -10.008 2.915 1.00 0.00 O ATOM 2290 CB PHE B 46 11.197 -8.416 4.438 1.00 0.00 C ATOM 2291 CG PHE B 46 9.930 -8.290 5.233 1.00 0.00 C ATOM 2292 CD1 PHE B 46 9.903 -7.547 6.402 1.00 0.00 C ATOM 2293 CD2 PHE B 46 8.768 -8.917 4.816 1.00 0.00 C ATOM 2294 CE1 PHE B 46 8.740 -7.431 7.139 1.00 0.00 C ATOM 2295 CE2 PHE B 46 7.602 -8.804 5.548 1.00 0.00 C ATOM 2296 CZ PHE B 46 7.587 -8.061 6.711 1.00 0.00 C ATOM 0 H PHE B 46 12.578 -8.198 6.558 1.00 0.00 H new ATOM 0 HA PHE B 46 11.631 -10.459 4.961 1.00 0.00 H new ATOM 0 HB2 PHE B 46 11.715 -7.457 4.439 1.00 0.00 H new ATOM 0 HB3 PHE B 46 10.946 -8.642 3.402 1.00 0.00 H new ATOM 0 HD1 PHE B 46 10.801 -7.053 6.741 1.00 0.00 H new ATOM 0 HD2 PHE B 46 8.773 -9.501 3.908 1.00 0.00 H new ATOM 0 HE1 PHE B 46 8.732 -6.849 8.048 1.00 0.00 H new ATOM 0 HE2 PHE B 46 6.702 -9.297 5.210 1.00 0.00 H new ATOM 0 HZ PHE B 46 6.677 -7.972 7.285 1.00 0.00 H new ATOM 2306 N THR B 47 14.539 -9.247 4.614 1.00 0.00 N ATOM 2307 CA THR B 47 15.786 -9.306 3.858 1.00 0.00 C ATOM 2308 C THR B 47 16.720 -10.374 4.424 1.00 0.00 C ATOM 2309 O THR B 47 17.535 -10.944 3.699 1.00 0.00 O ATOM 2310 CB THR B 47 16.484 -7.945 3.875 1.00 0.00 C ATOM 2311 OG1 THR B 47 17.173 -7.749 5.097 1.00 0.00 O ATOM 2312 CG2 THR B 47 15.535 -6.781 3.692 1.00 0.00 C ATOM 0 H THR B 47 14.643 -8.913 5.572 1.00 0.00 H new ATOM 0 HA THR B 47 15.542 -9.570 2.829 1.00 0.00 H new ATOM 0 HB THR B 47 17.174 -7.966 3.031 1.00 0.00 H new ATOM 0 HG1 THR B 47 16.642 -8.116 5.834 1.00 0.00 H new ATOM 0 HG21 THR B 47 16.096 -5.847 3.714 1.00 0.00 H new ATOM 0 HG22 THR B 47 15.025 -6.875 2.733 1.00 0.00 H new ATOM 0 HG23 THR B 47 14.799 -6.781 4.496 1.00 0.00 H new ATOM 2428 N VAL B 55 12.894 -10.359 -4.843 1.00 0.00 N ATOM 2429 CA VAL B 55 11.881 -9.625 -4.096 1.00 0.00 C ATOM 2430 C VAL B 55 12.239 -8.144 -3.977 1.00 0.00 C ATOM 2431 O VAL B 55 11.517 -7.281 -4.470 1.00 0.00 O ATOM 2432 CB VAL B 55 11.694 -10.217 -2.684 1.00 0.00 C ATOM 2433 CG1 VAL B 55 10.613 -9.465 -1.920 1.00 0.00 C ATOM 2434 CG2 VAL B 55 11.363 -11.699 -2.769 1.00 0.00 C ATOM 0 HA VAL B 55 10.948 -9.719 -4.651 1.00 0.00 H new ATOM 0 HB VAL B 55 12.631 -10.105 -2.139 1.00 0.00 H new ATOM 0 HG11 VAL B 55 10.499 -9.901 -0.927 1.00 0.00 H new ATOM 0 HG12 VAL B 55 10.896 -8.417 -1.826 1.00 0.00 H new ATOM 0 HG13 VAL B 55 9.668 -9.539 -2.459 1.00 0.00 H new ATOM 0 HG21 VAL B 55 11.234 -12.101 -1.764 1.00 0.00 H new ATOM 0 HG22 VAL B 55 10.441 -11.834 -3.335 1.00 0.00 H new ATOM 0 HG23 VAL B 55 12.176 -12.225 -3.269 1.00 0.00 H new ATOM 2444 N LEU B 56 13.350 -7.862 -3.306 1.00 0.00 N ATOM 2445 CA LEU B 56 13.808 -6.504 -3.093 1.00 0.00 C ATOM 2446 C LEU B 56 14.180 -5.802 -4.402 1.00 0.00 C ATOM 2447 O LEU B 56 13.747 -4.679 -4.657 1.00 0.00 O ATOM 2448 CB LEU B 56 15.013 -6.523 -2.147 1.00 0.00 C ATOM 2449 CG LEU B 56 15.180 -5.270 -1.292 1.00 0.00 C ATOM 2450 CD1 LEU B 56 16.599 -5.172 -0.756 1.00 0.00 C ATOM 2451 CD2 LEU B 56 14.823 -4.048 -2.110 1.00 0.00 C ATOM 0 H LEU B 56 13.956 -8.573 -2.896 1.00 0.00 H new ATOM 0 HA LEU B 56 12.987 -5.939 -2.651 1.00 0.00 H new ATOM 0 HB2 LEU B 56 14.925 -7.386 -1.487 1.00 0.00 H new ATOM 0 HB3 LEU B 56 15.918 -6.665 -2.738 1.00 0.00 H new ATOM 0 HG LEU B 56 14.507 -5.328 -0.436 1.00 0.00 H new ATOM 0 HD11 LEU B 56 16.697 -4.272 -0.149 1.00 0.00 H new ATOM 0 HD12 LEU B 56 16.818 -6.048 -0.145 1.00 0.00 H new ATOM 0 HD13 LEU B 56 17.300 -5.126 -1.589 1.00 0.00 H new ATOM 0 HD21 LEU B 56 14.942 -3.153 -1.499 1.00 0.00 H new ATOM 0 HD22 LEU B 56 15.481 -3.986 -2.977 1.00 0.00 H new ATOM 0 HD23 LEU B 56 13.788 -4.124 -2.444 1.00 0.00 H new ATOM 2463 N ASP B 57 14.998 -6.459 -5.213 1.00 0.00 N ATOM 2464 CA ASP B 57 15.451 -5.892 -6.481 1.00 0.00 C ATOM 2465 C ASP B 57 14.281 -5.491 -7.377 1.00 0.00 C ATOM 2466 O ASP B 57 14.285 -4.407 -7.961 1.00 0.00 O ATOM 2467 CB ASP B 57 16.349 -6.891 -7.209 1.00 0.00 C ATOM 2468 CG ASP B 57 17.129 -6.248 -8.341 1.00 0.00 C ATOM 2469 OD1 ASP B 57 18.015 -5.417 -8.053 1.00 0.00 O ATOM 2470 OD2 ASP B 57 16.854 -6.577 -9.513 1.00 0.00 O ATOM 0 H ASP B 57 15.364 -7.390 -5.016 1.00 0.00 H new ATOM 0 HA ASP B 57 16.017 -4.988 -6.255 1.00 0.00 H new ATOM 0 HB2 ASP B 57 17.045 -7.335 -6.498 1.00 0.00 H new ATOM 0 HB3 ASP B 57 15.739 -7.702 -7.606 1.00 0.00 H new ATOM 2475 N ARG B 58 13.285 -6.364 -7.487 1.00 0.00 N ATOM 2476 CA ARG B 58 12.119 -6.087 -8.320 1.00 0.00 C ATOM 2477 C ARG B 58 11.415 -4.812 -7.869 1.00 0.00 C ATOM 2478 O ARG B 58 10.719 -4.164 -8.649 1.00 0.00 O ATOM 2479 CB ARG B 58 11.136 -7.259 -8.266 1.00 0.00 C ATOM 2480 CG ARG B 58 10.935 -7.954 -9.604 1.00 0.00 C ATOM 2481 CD ARG B 58 9.462 -8.041 -9.973 1.00 0.00 C ATOM 2482 NE ARG B 58 8.827 -9.233 -9.414 1.00 0.00 N ATOM 2483 CZ ARG B 58 7.515 -9.356 -9.225 1.00 0.00 C ATOM 2484 NH1 ARG B 58 6.693 -8.366 -9.550 1.00 0.00 N ATOM 2485 NH2 ARG B 58 7.021 -10.474 -8.710 1.00 0.00 N ATOM 0 H ARG B 58 13.261 -7.266 -7.012 1.00 0.00 H new ATOM 0 HA ARG B 58 12.466 -5.952 -9.345 1.00 0.00 H new ATOM 0 HB2 ARG B 58 11.494 -7.988 -7.539 1.00 0.00 H new ATOM 0 HB3 ARG B 58 10.173 -6.897 -7.907 1.00 0.00 H new ATOM 0 HG2 ARG B 58 11.474 -7.412 -10.381 1.00 0.00 H new ATOM 0 HG3 ARG B 58 11.360 -8.957 -9.561 1.00 0.00 H new ATOM 0 HD2 ARG B 58 8.945 -7.152 -9.612 1.00 0.00 H new ATOM 0 HD3 ARG B 58 9.360 -8.051 -11.058 1.00 0.00 H new ATOM 0 HE ARG B 58 9.425 -10.017 -9.153 1.00 0.00 H new ATOM 0 HH11 ARG B 58 7.065 -7.504 -9.948 1.00 0.00 H new ATOM 0 HH12 ARG B 58 5.689 -8.468 -9.402 1.00 0.00 H new ATOM 0 HH21 ARG B 58 7.646 -11.240 -8.459 1.00 0.00 H new ATOM 0 HH22 ARG B 58 6.016 -10.568 -8.565 1.00 0.00 H new ATOM 2498 N MET B 59 11.586 -4.468 -6.599 1.00 0.00 N ATOM 2499 CA MET B 59 10.952 -3.282 -6.038 1.00 0.00 C ATOM 2500 C MET B 59 11.481 -2.010 -6.658 1.00 0.00 C ATOM 2501 O MET B 59 10.726 -1.172 -7.149 1.00 0.00 O ATOM 2502 CB MET B 59 11.203 -3.242 -4.524 1.00 0.00 C ATOM 2503 CG MET B 59 10.852 -4.523 -3.813 1.00 0.00 C ATOM 2504 SD MET B 59 9.414 -5.351 -4.525 1.00 0.00 S ATOM 2505 CE MET B 59 8.349 -3.939 -4.790 1.00 0.00 C ATOM 0 H MET B 59 12.158 -4.993 -5.938 1.00 0.00 H new ATOM 0 HA MET B 59 9.885 -3.343 -6.253 1.00 0.00 H new ATOM 0 HB2 MET B 59 12.254 -3.015 -4.346 1.00 0.00 H new ATOM 0 HB3 MET B 59 10.623 -2.427 -4.091 1.00 0.00 H new ATOM 0 HG2 MET B 59 11.707 -5.198 -3.847 1.00 0.00 H new ATOM 0 HG3 MET B 59 10.658 -4.308 -2.762 1.00 0.00 H new ATOM 0 HE1 MET B 59 7.503 -3.987 -4.104 1.00 0.00 H new ATOM 0 HE2 MET B 59 8.910 -3.022 -4.611 1.00 0.00 H new ATOM 0 HE3 MET B 59 7.984 -3.946 -5.817 1.00 0.00 H new ATOM 2515 N MET B 60 12.781 -1.873 -6.602 1.00 0.00 N ATOM 2516 CA MET B 60 13.456 -0.694 -7.127 1.00 0.00 C ATOM 2517 C MET B 60 13.493 -0.675 -8.652 1.00 0.00 C ATOM 2518 O MET B 60 13.161 0.336 -9.269 1.00 0.00 O ATOM 2519 CB MET B 60 14.862 -0.606 -6.545 1.00 0.00 C ATOM 2520 CG MET B 60 14.866 -0.658 -5.026 1.00 0.00 C ATOM 2521 SD MET B 60 14.932 0.977 -4.273 1.00 0.00 S ATOM 2522 CE MET B 60 13.614 1.801 -5.163 1.00 0.00 C ATOM 0 H MET B 60 13.407 -2.568 -6.195 1.00 0.00 H new ATOM 0 HA MET B 60 12.883 0.182 -6.822 1.00 0.00 H new ATOM 0 HB2 MET B 60 15.465 -1.426 -6.935 1.00 0.00 H new ATOM 0 HB3 MET B 60 15.331 0.321 -6.875 1.00 0.00 H new ATOM 0 HG2 MET B 60 13.971 -1.176 -4.682 1.00 0.00 H new ATOM 0 HG3 MET B 60 15.722 -1.243 -4.689 1.00 0.00 H new ATOM 0 HE1 MET B 60 13.177 2.575 -4.532 1.00 0.00 H new ATOM 0 HE2 MET B 60 14.015 2.256 -6.069 1.00 0.00 H new ATOM 0 HE3 MET B 60 12.847 1.075 -5.431 1.00 0.00 H new ATOM 2670 N GLN B 70 12.671 10.293 -8.727 1.00 0.00 N ATOM 2671 CA GLN B 70 12.793 9.924 -7.325 1.00 0.00 C ATOM 2672 C GLN B 70 11.746 8.885 -6.937 1.00 0.00 C ATOM 2673 O GLN B 70 10.999 8.394 -7.782 1.00 0.00 O ATOM 2674 CB GLN B 70 12.646 11.167 -6.444 1.00 0.00 C ATOM 2675 CG GLN B 70 13.934 11.958 -6.293 1.00 0.00 C ATOM 2676 CD GLN B 70 14.785 11.480 -5.130 1.00 0.00 C ATOM 2677 OE1 GLN B 70 14.726 10.184 -4.839 1.00 0.00 O flip ATOM 2678 NE2 GLN B 70 15.490 12.268 -4.500 1.00 0.00 N flip ATOM 0 HA GLN B 70 13.780 9.486 -7.173 1.00 0.00 H new ATOM 0 HB2 GLN B 70 11.879 11.815 -6.868 1.00 0.00 H new ATOM 0 HB3 GLN B 70 12.297 10.864 -5.457 1.00 0.00 H new ATOM 0 HG2 GLN B 70 14.511 11.883 -7.215 1.00 0.00 H new ATOM 0 HG3 GLN B 70 13.694 13.012 -6.152 1.00 0.00 H new ATOM 0 HE21 GLN B 70 15.506 13.255 -4.756 1.00 0.00 H new ATOM 0 HE22 GLN B 70 16.058 11.934 -3.722 1.00 0.00 H new ATOM 2687 N LEU B 71 11.694 8.562 -5.647 1.00 0.00 N ATOM 2688 CA LEU B 71 10.740 7.595 -5.138 1.00 0.00 C ATOM 2689 C LEU B 71 9.326 8.184 -5.209 1.00 0.00 C ATOM 2690 O LEU B 71 8.996 8.865 -6.179 1.00 0.00 O ATOM 2691 CB LEU B 71 11.139 7.206 -3.705 1.00 0.00 C ATOM 2692 CG LEU B 71 11.810 5.835 -3.551 1.00 0.00 C ATOM 2693 CD1 LEU B 71 10.769 4.749 -3.359 1.00 0.00 C ATOM 2694 CD2 LEU B 71 12.699 5.524 -4.745 1.00 0.00 C ATOM 0 H LEU B 71 12.307 8.961 -4.936 1.00 0.00 H new ATOM 0 HA LEU B 71 10.746 6.690 -5.745 1.00 0.00 H new ATOM 0 HB2 LEU B 71 11.816 7.967 -3.317 1.00 0.00 H new ATOM 0 HB3 LEU B 71 10.246 7.225 -3.081 1.00 0.00 H new ATOM 0 HG LEU B 71 12.441 5.867 -2.663 1.00 0.00 H new ATOM 0 HD11 LEU B 71 11.265 3.784 -3.252 1.00 0.00 H new ATOM 0 HD12 LEU B 71 10.186 4.959 -2.463 1.00 0.00 H new ATOM 0 HD13 LEU B 71 10.107 4.722 -4.225 1.00 0.00 H new ATOM 0 HD21 LEU B 71 13.162 4.547 -4.609 1.00 0.00 H new ATOM 0 HD22 LEU B 71 12.098 5.518 -5.654 1.00 0.00 H new ATOM 0 HD23 LEU B 71 13.475 6.285 -4.828 1.00 0.00 H new ATOM 2706 N ASP B 72 8.495 7.939 -4.198 1.00 0.00 N ATOM 2707 CA ASP B 72 7.134 8.469 -4.191 1.00 0.00 C ATOM 2708 C ASP B 72 6.339 7.918 -3.016 1.00 0.00 C ATOM 2709 O ASP B 72 6.779 6.993 -2.332 1.00 0.00 O ATOM 2710 CB ASP B 72 6.411 8.134 -5.502 1.00 0.00 C ATOM 2711 CG ASP B 72 5.729 9.344 -6.109 1.00 0.00 C ATOM 2712 OD1 ASP B 72 4.821 9.902 -5.458 1.00 0.00 O ATOM 2713 OD2 ASP B 72 6.100 9.732 -7.236 1.00 0.00 O ATOM 0 H ASP B 72 8.738 7.381 -3.379 1.00 0.00 H new ATOM 0 HA ASP B 72 7.205 9.552 -4.091 1.00 0.00 H new ATOM 0 HB2 ASP B 72 7.128 7.728 -6.216 1.00 0.00 H new ATOM 0 HB3 ASP B 72 5.670 7.357 -5.317 1.00 0.00 H new ATOM 2718 N PHE B 73 5.162 8.489 -2.791 1.00 0.00 N ATOM 2719 CA PHE B 73 4.297 8.058 -1.704 1.00 0.00 C ATOM 2720 C PHE B 73 3.932 6.585 -1.852 1.00 0.00 C ATOM 2721 O PHE B 73 4.273 5.766 -0.998 1.00 0.00 O ATOM 2722 CB PHE B 73 3.033 8.913 -1.665 1.00 0.00 C ATOM 2723 CG PHE B 73 3.077 10.003 -0.634 1.00 0.00 C ATOM 2724 CD1 PHE B 73 3.777 11.174 -0.875 1.00 0.00 C ATOM 2725 CD2 PHE B 73 2.416 9.859 0.576 1.00 0.00 C ATOM 2726 CE1 PHE B 73 3.819 12.181 0.071 1.00 0.00 C ATOM 2727 CE2 PHE B 73 2.454 10.862 1.525 1.00 0.00 C ATOM 2728 CZ PHE B 73 3.155 12.025 1.272 1.00 0.00 C ATOM 0 H PHE B 73 4.785 9.254 -3.350 1.00 0.00 H new ATOM 0 HA PHE B 73 4.838 8.184 -0.766 1.00 0.00 H new ATOM 0 HB2 PHE B 73 2.876 9.359 -2.647 1.00 0.00 H new ATOM 0 HB3 PHE B 73 2.176 8.270 -1.466 1.00 0.00 H new ATOM 0 HD1 PHE B 73 4.296 11.302 -1.813 1.00 0.00 H new ATOM 0 HD2 PHE B 73 1.865 8.952 0.779 1.00 0.00 H new ATOM 0 HE1 PHE B 73 4.370 13.088 -0.129 1.00 0.00 H new ATOM 0 HE2 PHE B 73 1.936 10.737 2.464 1.00 0.00 H new ATOM 0 HZ PHE B 73 3.184 12.811 2.012 1.00 0.00 H new ATOM 2738 N GLN B 74 3.244 6.246 -2.940 1.00 0.00 N ATOM 2739 CA GLN B 74 2.853 4.863 -3.174 1.00 0.00 C ATOM 2740 C GLN B 74 4.074 4.001 -3.452 1.00 0.00 C ATOM 2741 O GLN B 74 4.065 2.815 -3.155 1.00 0.00 O ATOM 2742 CB GLN B 74 1.861 4.742 -4.334 1.00 0.00 C ATOM 2743 CG GLN B 74 1.525 3.297 -4.700 1.00 0.00 C ATOM 2744 CD GLN B 74 1.089 2.464 -3.501 1.00 0.00 C ATOM 2745 OE1 GLN B 74 1.571 1.220 -3.425 1.00 0.00 O flip ATOM 2746 NE2 GLN B 74 0.329 2.931 -2.653 1.00 0.00 N flip ATOM 0 H GLN B 74 2.950 6.902 -3.663 1.00 0.00 H new ATOM 0 HA GLN B 74 2.361 4.510 -2.268 1.00 0.00 H new ATOM 0 HB2 GLN B 74 0.942 5.265 -4.071 1.00 0.00 H new ATOM 0 HB3 GLN B 74 2.274 5.243 -5.209 1.00 0.00 H new ATOM 0 HG2 GLN B 74 0.731 3.293 -5.446 1.00 0.00 H new ATOM 0 HG3 GLN B 74 2.397 2.833 -5.160 1.00 0.00 H new ATOM 0 HE21 GLN B 74 -0.017 3.886 -2.748 1.00 0.00 H new ATOM 0 HE22 GLN B 74 0.045 2.363 -1.855 1.00 0.00 H new ATOM 2755 N GLU B 75 5.129 4.595 -4.015 1.00 0.00 N ATOM 2756 CA GLU B 75 6.345 3.847 -4.311 1.00 0.00 C ATOM 2757 C GLU B 75 6.714 2.959 -3.135 1.00 0.00 C ATOM 2758 O GLU B 75 7.108 1.809 -3.311 1.00 0.00 O ATOM 2759 CB GLU B 75 7.494 4.808 -4.611 1.00 0.00 C ATOM 2760 CG GLU B 75 7.799 4.970 -6.089 1.00 0.00 C ATOM 2761 CD GLU B 75 6.588 4.765 -6.983 1.00 0.00 C ATOM 2762 OE1 GLU B 75 5.813 5.728 -7.162 1.00 0.00 O ATOM 2763 OE2 GLU B 75 6.415 3.643 -7.501 1.00 0.00 O ATOM 0 H GLU B 75 5.163 5.582 -4.271 1.00 0.00 H new ATOM 0 HA GLU B 75 6.165 3.222 -5.186 1.00 0.00 H new ATOM 0 HB2 GLU B 75 7.255 5.785 -4.192 1.00 0.00 H new ATOM 0 HB3 GLU B 75 8.391 4.454 -4.103 1.00 0.00 H new ATOM 0 HG2 GLU B 75 8.203 5.967 -6.261 1.00 0.00 H new ATOM 0 HG3 GLU B 75 8.575 4.258 -6.372 1.00 0.00 H new ATOM 2770 N PHE B 76 6.554 3.500 -1.936 1.00 0.00 N ATOM 2771 CA PHE B 76 6.840 2.754 -0.727 1.00 0.00 C ATOM 2772 C PHE B 76 5.765 1.698 -0.522 1.00 0.00 C ATOM 2773 O PHE B 76 6.064 0.515 -0.406 1.00 0.00 O ATOM 2774 CB PHE B 76 6.905 3.696 0.470 1.00 0.00 C ATOM 2775 CG PHE B 76 7.645 3.126 1.648 1.00 0.00 C ATOM 2776 CD1 PHE B 76 7.232 1.942 2.236 1.00 0.00 C ATOM 2777 CD2 PHE B 76 8.753 3.777 2.165 1.00 0.00 C ATOM 2778 CE1 PHE B 76 7.911 1.417 3.320 1.00 0.00 C ATOM 2779 CE2 PHE B 76 9.436 3.258 3.248 1.00 0.00 C ATOM 2780 CZ PHE B 76 9.015 2.077 3.826 1.00 0.00 C ATOM 0 H PHE B 76 6.227 4.453 -1.778 1.00 0.00 H new ATOM 0 HA PHE B 76 7.808 2.262 -0.823 1.00 0.00 H new ATOM 0 HB2 PHE B 76 7.387 4.625 0.164 1.00 0.00 H new ATOM 0 HB3 PHE B 76 5.890 3.949 0.777 1.00 0.00 H new ATOM 0 HD1 PHE B 76 6.370 1.423 1.843 1.00 0.00 H new ATOM 0 HD2 PHE B 76 9.087 4.701 1.716 1.00 0.00 H new ATOM 0 HE1 PHE B 76 7.579 0.493 3.770 1.00 0.00 H new ATOM 0 HE2 PHE B 76 10.298 3.776 3.642 1.00 0.00 H new ATOM 0 HZ PHE B 76 9.548 1.669 4.672 1.00 0.00 H new ATOM 2790 N LEU B 77 4.506 2.130 -0.516 1.00 0.00 N ATOM 2791 CA LEU B 77 3.389 1.208 -0.368 1.00 0.00 C ATOM 2792 C LEU B 77 3.481 0.119 -1.436 1.00 0.00 C ATOM 2793 O LEU B 77 3.132 -1.037 -1.204 1.00 0.00 O ATOM 2794 CB LEU B 77 2.066 1.966 -0.490 1.00 0.00 C ATOM 2795 CG LEU B 77 1.462 2.418 0.836 1.00 0.00 C ATOM 2796 CD1 LEU B 77 0.451 3.535 0.617 1.00 0.00 C ATOM 2797 CD2 LEU B 77 0.820 1.237 1.535 1.00 0.00 C ATOM 0 H LEU B 77 4.237 3.109 -0.612 1.00 0.00 H new ATOM 0 HA LEU B 77 3.431 0.742 0.617 1.00 0.00 H new ATOM 0 HB2 LEU B 77 2.222 2.842 -1.119 1.00 0.00 H new ATOM 0 HB3 LEU B 77 1.345 1.330 -1.003 1.00 0.00 H new ATOM 0 HG LEU B 77 2.257 2.811 1.470 1.00 0.00 H new ATOM 0 HD11 LEU B 77 0.034 3.841 1.576 1.00 0.00 H new ATOM 0 HD12 LEU B 77 0.945 4.386 0.148 1.00 0.00 H new ATOM 0 HD13 LEU B 77 -0.350 3.179 -0.030 1.00 0.00 H new ATOM 0 HD21 LEU B 77 0.390 1.564 2.482 1.00 0.00 H new ATOM 0 HD22 LEU B 77 0.034 0.823 0.903 1.00 0.00 H new ATOM 0 HD23 LEU B 77 1.574 0.472 1.724 1.00 0.00 H new ATOM 2809 N ASN B 78 3.984 0.516 -2.600 1.00 0.00 N ATOM 2810 CA ASN B 78 4.172 -0.388 -3.726 1.00 0.00 C ATOM 2811 C ASN B 78 5.365 -1.283 -3.457 1.00 0.00 C ATOM 2812 O ASN B 78 5.293 -2.504 -3.597 1.00 0.00 O ATOM 2813 CB ASN B 78 4.427 0.409 -5.011 1.00 0.00 C ATOM 2814 CG ASN B 78 3.328 0.251 -6.041 1.00 0.00 C ATOM 2815 OD1 ASN B 78 2.685 -0.795 -6.129 1.00 0.00 O ATOM 2816 ND2 ASN B 78 3.113 1.298 -6.828 1.00 0.00 N ATOM 0 H ASN B 78 4.273 1.476 -2.788 1.00 0.00 H new ATOM 0 HA ASN B 78 3.271 -0.989 -3.849 1.00 0.00 H new ATOM 0 HB2 ASN B 78 4.532 1.465 -4.761 1.00 0.00 H new ATOM 0 HB3 ASN B 78 5.373 0.089 -5.447 1.00 0.00 H new ATOM 0 HD21 ASN B 78 2.388 1.257 -7.545 1.00 0.00 H new ATOM 0 HD22 ASN B 78 3.673 2.143 -6.716 1.00 0.00 H new ATOM 2823 N LEU B 79 6.469 -0.652 -3.075 1.00 0.00 N ATOM 2824 CA LEU B 79 7.688 -1.373 -2.790 1.00 0.00 C ATOM 2825 C LEU B 79 7.508 -2.278 -1.582 1.00 0.00 C ATOM 2826 O LEU B 79 7.674 -3.487 -1.686 1.00 0.00 O ATOM 2827 CB LEU B 79 8.840 -0.393 -2.558 1.00 0.00 C ATOM 2828 CG LEU B 79 9.715 -0.132 -3.788 1.00 0.00 C ATOM 2829 CD1 LEU B 79 8.894 0.409 -4.942 1.00 0.00 C ATOM 2830 CD2 LEU B 79 10.842 0.821 -3.454 1.00 0.00 C ATOM 0 H LEU B 79 6.538 0.359 -2.957 1.00 0.00 H new ATOM 0 HA LEU B 79 7.928 -1.998 -3.650 1.00 0.00 H new ATOM 0 HB2 LEU B 79 8.428 0.556 -2.214 1.00 0.00 H new ATOM 0 HB3 LEU B 79 9.470 -0.777 -1.756 1.00 0.00 H new ATOM 0 HG LEU B 79 10.145 -1.086 -4.095 1.00 0.00 H new ATOM 0 HD11 LEU B 79 9.543 0.584 -5.800 1.00 0.00 H new ATOM 0 HD12 LEU B 79 8.124 -0.314 -5.211 1.00 0.00 H new ATOM 0 HD13 LEU B 79 8.424 1.347 -4.646 1.00 0.00 H new ATOM 0 HD21 LEU B 79 11.450 0.991 -4.343 1.00 0.00 H new ATOM 0 HD22 LEU B 79 10.427 1.769 -3.111 1.00 0.00 H new ATOM 0 HD23 LEU B 79 11.462 0.390 -2.668 1.00 0.00 H new ATOM 2842 N ILE B 80 7.147 -1.682 -0.445 1.00 0.00 N ATOM 2843 CA ILE B 80 6.930 -2.433 0.787 1.00 0.00 C ATOM 2844 C ILE B 80 5.729 -3.365 0.663 1.00 0.00 C ATOM 2845 O ILE B 80 5.813 -4.542 1.011 1.00 0.00 O ATOM 2846 CB ILE B 80 6.754 -1.492 2.001 1.00 0.00 C ATOM 2847 CG1 ILE B 80 7.176 -2.204 3.286 1.00 0.00 C ATOM 2848 CG2 ILE B 80 5.321 -1.005 2.113 1.00 0.00 C ATOM 2849 CD1 ILE B 80 6.072 -3.026 3.915 1.00 0.00 C ATOM 0 H ILE B 80 6.999 -0.677 -0.354 1.00 0.00 H new ATOM 0 HA ILE B 80 7.820 -3.039 0.953 1.00 0.00 H new ATOM 0 HB ILE B 80 7.394 -0.622 1.852 1.00 0.00 H new ATOM 0 HG12 ILE B 80 8.023 -2.855 3.069 1.00 0.00 H new ATOM 0 HG13 ILE B 80 7.520 -1.462 4.006 1.00 0.00 H new ATOM 0 HG21 ILE B 80 5.227 -0.345 2.976 1.00 0.00 H new ATOM 0 HG22 ILE B 80 5.050 -0.460 1.209 1.00 0.00 H new ATOM 0 HG23 ILE B 80 4.655 -1.859 2.235 1.00 0.00 H new ATOM 0 HD11 ILE B 80 6.444 -3.502 4.822 1.00 0.00 H new ATOM 0 HD12 ILE B 80 5.232 -2.377 4.164 1.00 0.00 H new ATOM 0 HD13 ILE B 80 5.743 -3.792 3.212 1.00 0.00 H new ATOM 2861 N GLY B 81 4.618 -2.847 0.138 1.00 0.00 N ATOM 2862 CA GLY B 81 3.443 -3.675 -0.044 1.00 0.00 C ATOM 2863 C GLY B 81 3.788 -4.884 -0.875 1.00 0.00 C ATOM 2864 O GLY B 81 3.517 -6.020 -0.487 1.00 0.00 O ATOM 0 H GLY B 81 4.514 -1.877 -0.161 1.00 0.00 H new ATOM 0 HA2 GLY B 81 3.055 -3.988 0.925 1.00 0.00 H new ATOM 0 HA3 GLY B 81 2.655 -3.101 -0.532 1.00 0.00 H new ATOM 2868 N GLY B 82 4.431 -4.632 -2.012 1.00 0.00 N ATOM 2869 CA GLY B 82 4.856 -5.719 -2.873 1.00 0.00 C ATOM 2870 C GLY B 82 5.727 -6.720 -2.127 1.00 0.00 C ATOM 2871 O GLY B 82 5.725 -7.910 -2.442 1.00 0.00 O ATOM 0 H GLY B 82 4.664 -3.698 -2.350 1.00 0.00 H new ATOM 0 HA2 GLY B 82 3.980 -6.228 -3.276 1.00 0.00 H new ATOM 0 HA3 GLY B 82 5.409 -5.316 -3.721 1.00 0.00 H new ATOM 2875 N LEU B 83 6.465 -6.233 -1.123 1.00 0.00 N ATOM 2876 CA LEU B 83 7.335 -7.093 -0.318 1.00 0.00 C ATOM 2877 C LEU B 83 6.506 -8.061 0.491 1.00 0.00 C ATOM 2878 O LEU B 83 6.782 -9.258 0.524 1.00 0.00 O ATOM 2879 CB LEU B 83 8.211 -6.257 0.621 1.00 0.00 C ATOM 2880 CG LEU B 83 8.939 -5.117 -0.072 1.00 0.00 C ATOM 2881 CD1 LEU B 83 9.920 -4.422 0.845 1.00 0.00 C ATOM 2882 CD2 LEU B 83 9.647 -5.630 -1.302 1.00 0.00 C ATOM 0 H LEU B 83 6.476 -5.250 -0.850 1.00 0.00 H new ATOM 0 HA LEU B 83 7.982 -7.649 -0.996 1.00 0.00 H new ATOM 0 HB2 LEU B 83 7.588 -5.848 1.416 1.00 0.00 H new ATOM 0 HB3 LEU B 83 8.944 -6.909 1.095 1.00 0.00 H new ATOM 0 HG LEU B 83 8.191 -4.379 -0.362 1.00 0.00 H new ATOM 0 HD11 LEU B 83 10.415 -3.615 0.304 1.00 0.00 H new ATOM 0 HD12 LEU B 83 9.388 -4.011 1.703 1.00 0.00 H new ATOM 0 HD13 LEU B 83 10.666 -5.138 1.190 1.00 0.00 H new ATOM 0 HD21 LEU B 83 10.166 -4.807 -1.793 1.00 0.00 H new ATOM 0 HD22 LEU B 83 10.369 -6.394 -1.014 1.00 0.00 H new ATOM 0 HD23 LEU B 83 8.918 -6.060 -1.989 1.00 0.00 H new ATOM 2894 N ALA B 84 5.481 -7.537 1.139 1.00 0.00 N ATOM 2895 CA ALA B 84 4.602 -8.367 1.946 1.00 0.00 C ATOM 2896 C ALA B 84 4.034 -9.511 1.119 1.00 0.00 C ATOM 2897 O ALA B 84 3.828 -10.615 1.620 1.00 0.00 O ATOM 2898 CB ALA B 84 3.470 -7.535 2.510 1.00 0.00 C ATOM 0 H ALA B 84 5.237 -6.547 1.123 1.00 0.00 H new ATOM 0 HA ALA B 84 5.186 -8.784 2.767 1.00 0.00 H new ATOM 0 HB1 ALA B 84 2.818 -8.168 3.113 1.00 0.00 H new ATOM 0 HB2 ALA B 84 3.879 -6.739 3.132 1.00 0.00 H new ATOM 0 HB3 ALA B 84 2.897 -7.099 1.692 1.00 0.00 H new ATOM 2904 N VAL B 85 3.784 -9.237 -0.150 1.00 0.00 N ATOM 2905 CA VAL B 85 3.237 -10.241 -1.052 1.00 0.00 C ATOM 2906 C VAL B 85 4.335 -11.107 -1.648 1.00 0.00 C ATOM 2907 O VAL B 85 4.074 -12.190 -2.169 1.00 0.00 O ATOM 2908 CB VAL B 85 2.397 -9.618 -2.191 1.00 0.00 C ATOM 2909 CG1 VAL B 85 0.996 -10.192 -2.167 1.00 0.00 C ATOM 2910 CG2 VAL B 85 2.340 -8.100 -2.083 1.00 0.00 C ATOM 0 H VAL B 85 3.951 -8.328 -0.581 1.00 0.00 H new ATOM 0 HA VAL B 85 2.577 -10.862 -0.446 1.00 0.00 H new ATOM 0 HB VAL B 85 2.879 -9.865 -3.137 1.00 0.00 H new ATOM 0 HG11 VAL B 85 0.408 -9.750 -2.971 1.00 0.00 H new ATOM 0 HG12 VAL B 85 1.043 -11.272 -2.303 1.00 0.00 H new ATOM 0 HG13 VAL B 85 0.527 -9.967 -1.209 1.00 0.00 H new ATOM 0 HG21 VAL B 85 1.741 -7.699 -2.901 1.00 0.00 H new ATOM 0 HG22 VAL B 85 1.889 -7.820 -1.131 1.00 0.00 H new ATOM 0 HG23 VAL B 85 3.350 -7.693 -2.140 1.00 0.00 H new ATOM 2920 N ALA B 86 5.561 -10.623 -1.568 1.00 0.00 N ATOM 2921 CA ALA B 86 6.698 -11.346 -2.100 1.00 0.00 C ATOM 2922 C ALA B 86 7.667 -11.743 -0.993 1.00 0.00 C ATOM 2923 O ALA B 86 8.823 -12.073 -1.259 1.00 0.00 O ATOM 2924 CB ALA B 86 7.396 -10.482 -3.122 1.00 0.00 C ATOM 0 H ALA B 86 5.794 -9.728 -1.137 1.00 0.00 H new ATOM 0 HA ALA B 86 6.344 -12.263 -2.571 1.00 0.00 H new ATOM 0 HB1 ALA B 86 8.253 -11.019 -3.528 1.00 0.00 H new ATOM 0 HB2 ALA B 86 6.704 -10.241 -3.929 1.00 0.00 H new ATOM 0 HB3 ALA B 86 7.736 -9.561 -2.649 1.00 0.00 H new ATOM 2930 N CYS B 87 7.200 -11.695 0.249 1.00 0.00 N ATOM 2931 CA CYS B 87 8.049 -12.036 1.381 1.00 0.00 C ATOM 2932 C CYS B 87 7.247 -12.310 2.660 1.00 0.00 C ATOM 2933 O CYS B 87 7.675 -13.106 3.494 1.00 0.00 O ATOM 2934 CB CYS B 87 9.058 -10.913 1.625 1.00 0.00 C ATOM 2935 SG CYS B 87 10.370 -11.341 2.794 1.00 0.00 S ATOM 0 H CYS B 87 6.247 -11.426 0.495 1.00 0.00 H new ATOM 0 HA CYS B 87 8.571 -12.959 1.129 1.00 0.00 H new ATOM 0 HB2 CYS B 87 9.511 -10.633 0.674 1.00 0.00 H new ATOM 0 HB3 CYS B 87 8.527 -10.036 1.996 1.00 0.00 H new ATOM 0 HG CYS B 87 11.424 -10.621 2.546 1.00 0.00 H new ATOM 2941 N HIS B 88 6.095 -11.653 2.830 1.00 0.00 N ATOM 2942 CA HIS B 88 5.289 -11.864 4.037 1.00 0.00 C ATOM 2943 C HIS B 88 4.376 -13.083 3.905 1.00 0.00 C ATOM 2944 O HIS B 88 3.173 -12.998 4.156 1.00 0.00 O ATOM 2945 CB HIS B 88 4.456 -10.621 4.364 1.00 0.00 C ATOM 2946 CG HIS B 88 3.901 -10.625 5.754 1.00 0.00 C ATOM 2947 ND1 HIS B 88 4.694 -10.602 6.883 1.00 0.00 N ATOM 2948 CD2 HIS B 88 2.621 -10.649 6.197 1.00 0.00 C ATOM 2949 CE1 HIS B 88 3.927 -10.614 7.958 1.00 0.00 C ATOM 2950 NE2 HIS B 88 2.665 -10.641 7.570 1.00 0.00 N ATOM 0 H HIS B 88 5.706 -10.985 2.164 1.00 0.00 H new ATOM 0 HA HIS B 88 5.985 -12.050 4.855 1.00 0.00 H new ATOM 0 HB2 HIS B 88 5.074 -9.733 4.230 1.00 0.00 H new ATOM 0 HB3 HIS B 88 3.633 -10.547 3.653 1.00 0.00 H new ATOM 0 HD2 HIS B 88 1.732 -10.670 5.585 1.00 0.00 H new ATOM 0 HE1 HIS B 88 4.273 -10.604 8.981 1.00 0.00 H new ATOM 0 HE2 HIS B 88 1.855 -10.654 8.189 1.00 0.00 H new ATOM 2959 N GLU B 89 4.962 -14.219 3.528 1.00 0.00 N ATOM 2960 CA GLU B 89 4.219 -15.473 3.376 1.00 0.00 C ATOM 2961 C GLU B 89 2.833 -15.257 2.768 1.00 0.00 C ATOM 2962 O GLU B 89 1.891 -15.983 3.085 1.00 0.00 O ATOM 2963 CB GLU B 89 4.085 -16.168 4.733 1.00 0.00 C ATOM 2964 CG GLU B 89 5.411 -16.372 5.446 1.00 0.00 C ATOM 2965 CD GLU B 89 5.456 -17.666 6.234 1.00 0.00 C ATOM 2966 OE1 GLU B 89 4.653 -17.814 7.180 1.00 0.00 O ATOM 2967 OE2 GLU B 89 6.293 -18.534 5.906 1.00 0.00 O ATOM 0 H GLU B 89 5.958 -14.298 3.320 1.00 0.00 H new ATOM 0 HA GLU B 89 4.784 -16.103 2.689 1.00 0.00 H new ATOM 0 HB2 GLU B 89 3.426 -15.578 5.370 1.00 0.00 H new ATOM 0 HB3 GLU B 89 3.606 -17.137 4.590 1.00 0.00 H new ATOM 0 HG2 GLU B 89 6.218 -16.369 4.713 1.00 0.00 H new ATOM 0 HG3 GLU B 89 5.590 -15.534 6.120 1.00 0.00 H new ATOM 2974 N SER B 90 2.715 -14.264 1.895 1.00 0.00 N ATOM 2975 CA SER B 90 1.441 -13.972 1.247 1.00 0.00 C ATOM 2976 C SER B 90 1.353 -14.680 -0.100 1.00 0.00 C ATOM 2977 O SER B 90 0.549 -15.595 -0.282 1.00 0.00 O ATOM 2978 CB SER B 90 1.270 -12.464 1.061 1.00 0.00 C ATOM 2979 OG SER B 90 0.463 -11.911 2.086 1.00 0.00 O ATOM 0 H SER B 90 3.481 -13.650 1.620 1.00 0.00 H new ATOM 0 HA SER B 90 0.638 -14.339 1.887 1.00 0.00 H new ATOM 0 HB2 SER B 90 2.247 -11.981 1.063 1.00 0.00 H new ATOM 0 HB3 SER B 90 0.818 -12.263 0.090 1.00 0.00 H new ATOM 0 HG SER B 90 -0.482 -12.002 1.843 1.00 0.00 H new ATOM 2985 N PHE B 91 2.193 -14.256 -1.038 1.00 0.00 N ATOM 2986 CA PHE B 91 2.221 -14.856 -2.365 1.00 0.00 C ATOM 2987 C PHE B 91 3.432 -15.770 -2.509 1.00 0.00 C ATOM 2988 O PHE B 91 3.363 -16.814 -3.156 1.00 0.00 O ATOM 2989 CB PHE B 91 2.248 -13.769 -3.443 1.00 0.00 C ATOM 2990 CG PHE B 91 1.199 -13.949 -4.503 1.00 0.00 C ATOM 2991 CD1 PHE B 91 -0.114 -13.577 -4.265 1.00 0.00 C ATOM 2992 CD2 PHE B 91 1.527 -14.489 -5.736 1.00 0.00 C ATOM 2993 CE1 PHE B 91 -1.082 -13.742 -5.238 1.00 0.00 C ATOM 2994 CE2 PHE B 91 0.563 -14.656 -6.713 1.00 0.00 C ATOM 2995 CZ PHE B 91 -0.743 -14.281 -6.464 1.00 0.00 C ATOM 0 H PHE B 91 2.863 -13.499 -0.903 1.00 0.00 H new ATOM 0 HA PHE B 91 1.317 -15.451 -2.493 1.00 0.00 H new ATOM 0 HB2 PHE B 91 2.112 -12.796 -2.970 1.00 0.00 H new ATOM 0 HB3 PHE B 91 3.231 -13.760 -3.914 1.00 0.00 H new ATOM 0 HD1 PHE B 91 -0.384 -13.154 -3.309 1.00 0.00 H new ATOM 0 HD2 PHE B 91 2.547 -14.783 -5.936 1.00 0.00 H new ATOM 0 HE1 PHE B 91 -2.103 -13.450 -5.040 1.00 0.00 H new ATOM 0 HE2 PHE B 91 0.831 -15.079 -7.670 1.00 0.00 H new ATOM 0 HZ PHE B 91 -1.497 -14.409 -7.226 1.00 0.00 H new ATOM 3005 N VAL B 92 4.541 -15.367 -1.895 1.00 0.00 N ATOM 3006 CA VAL B 92 5.773 -16.153 -1.947 1.00 0.00 C ATOM 3007 C VAL B 92 5.543 -17.561 -1.418 1.00 0.00 C ATOM 3008 O VAL B 92 6.157 -18.521 -1.884 1.00 0.00 O ATOM 3009 CB VAL B 92 6.930 -15.500 -1.151 1.00 0.00 C ATOM 3010 CG1 VAL B 92 7.855 -14.743 -2.090 1.00 0.00 C ATOM 3011 CG2 VAL B 92 6.405 -14.582 -0.051 1.00 0.00 C ATOM 0 H VAL B 92 4.613 -14.504 -1.357 1.00 0.00 H new ATOM 0 HA VAL B 92 6.062 -16.193 -2.997 1.00 0.00 H new ATOM 0 HB VAL B 92 7.497 -16.296 -0.668 1.00 0.00 H new ATOM 0 HG11 VAL B 92 8.663 -14.289 -1.517 1.00 0.00 H new ATOM 0 HG12 VAL B 92 8.273 -15.433 -2.823 1.00 0.00 H new ATOM 0 HG13 VAL B 92 7.293 -13.963 -2.604 1.00 0.00 H new ATOM 0 HG21 VAL B 92 7.245 -14.141 0.487 1.00 0.00 H new ATOM 0 HG22 VAL B 92 5.802 -13.790 -0.495 1.00 0.00 H new ATOM 0 HG23 VAL B 92 5.792 -15.158 0.642 1.00 0.00 H new